==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 06-SEP-04 1W7M . COMPND 2 MOLECULE: KYNURENINE--OXOGLUTARATE TRANSAMINASE I; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR F.ROSSI,Q.HAN,J.LI,J.LI,M.RIZZI . 416 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18041.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 304 73.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 7.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 27 6.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 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 0.2 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 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 137 32.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 2 0 1 2 1 0 1 0 2 1 1 2 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 0 2 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 . 2 1 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 1 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 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 4 A Q 0 0 218 0, 0.0 4,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -45.3 -18.8 117.1 -0.4 2 5 A L + 0 0 170 2,-0.1 2,-0.1 0, 0.0 0, 0.0 0.906 360.0 54.6 -67.8 -41.6 -15.6 115.2 0.5 3 6 A Q S S- 0 0 106 1,-0.1 2,-0.2 2,-0.0 0, 0.0 -0.381 99.0 -92.3 -90.3 166.7 -14.0 118.4 1.7 4 7 A A > - 0 0 33 1,-0.1 3,-2.1 -2,-0.1 -1,-0.1 -0.524 25.4-124.2 -86.4 146.8 -15.3 120.9 4.3 5 8 A R G > S+ 0 0 206 1,-0.3 3,-2.9 -2,-0.2 -1,-0.1 0.773 103.8 78.4 -58.4 -27.1 -17.4 123.9 3.4 6 9 A R G 3 S+ 0 0 147 1,-0.3 -1,-0.3 125,-0.1 4,-0.2 0.730 88.5 61.1 -54.6 -20.5 -14.9 126.2 5.1 7 10 A L G < S+ 0 0 73 -3,-2.1 4,-0.4 2,-0.1 2,-0.3 0.432 74.9 124.5 -85.4 -1.0 -12.8 125.7 1.9 8 11 A D S < S- 0 0 91 -3,-2.9 2,-1.1 1,-0.2 -3,-0.0 -0.447 86.4 -9.2 -65.8 120.6 -15.6 127.2 -0.4 9 12 A G S > S+ 0 0 54 -2,-0.3 3,-1.3 1,-0.1 -1,-0.2 -0.384 115.6 85.7 94.3 -59.4 -14.2 130.1 -2.5 10 13 A I T 3 + 0 0 41 -2,-1.1 -2,-0.1 1,-0.2 -1,-0.1 0.407 64.2 90.9 -58.5 2.9 -10.8 130.4 -0.8 11 14 A D T 3 + 0 0 129 -4,-0.4 2,-0.5 2,-0.0 -1,-0.2 0.749 62.9 91.2 -81.2 -20.2 -9.3 127.7 -3.0 12 15 A Y < - 0 0 163 -3,-1.3 0, 0.0 1,-0.0 0, 0.0 -0.651 53.8-172.3 -84.2 124.9 -8.0 130.0 -5.7 13 16 A N > - 0 0 67 -2,-0.5 4,-0.6 1,-0.1 -2,-0.0 -0.897 14.0-165.5-121.5 99.4 -4.5 131.3 -5.3 14 17 A P H > S+ 0 0 25 0, 0.0 4,-1.0 0, 0.0 3,-0.1 0.711 78.3 75.8 -53.8 -27.6 -3.2 134.0 -7.7 15 18 A W H >> S+ 0 0 33 1,-0.2 3,-3.3 2,-0.2 4,-0.9 0.891 91.0 44.7 -48.5-104.4 0.4 133.5 -6.6 16 19 A V H 34 S+ 0 0 100 1,-0.3 -1,-0.2 2,-0.2 5,-0.1 0.528 106.8 60.6 -2.4 -51.8 1.4 130.2 -8.3 17 20 A E H 3X S+ 0 0 69 -4,-0.6 4,-0.7 1,-0.2 3,-0.4 0.876 114.8 35.1 -59.9 -34.7 -0.1 131.1 -11.8 18 21 A F H XX S+ 0 0 15 -3,-3.3 4,-2.3 -4,-1.0 3,-1.0 0.942 111.5 56.2 -89.2 -51.8 2.1 134.1 -12.1 19 22 A V H 3< S+ 0 0 65 -4,-0.9 -1,-0.2 1,-0.3 -3,-0.2 0.200 111.3 50.2 -71.2 20.5 5.3 132.9 -10.5 20 23 A K H 3> S+ 0 0 103 -3,-0.4 4,-0.5 -5,-0.3 -1,-0.3 0.469 105.4 51.6-123.2 -27.8 5.2 130.1 -13.0 21 24 A L H << S+ 0 0 21 -3,-1.0 3,-0.3 -4,-0.7 -2,-0.2 0.802 108.9 56.6 -70.7 -30.4 4.7 132.3 -16.1 22 25 A A T >< S+ 0 0 2 -4,-2.3 3,-1.4 1,-0.2 -3,-0.1 0.912 101.5 54.1 -61.6 -47.0 7.8 134.2 -14.7 23 26 A S T 34 S+ 0 0 92 1,-0.3 -1,-0.2 -5,-0.2 -2,-0.2 0.662 99.2 62.8 -70.1 -17.5 9.9 131.0 -14.7 24 27 A E T 3< S+ 0 0 110 -4,-0.5 2,-0.3 -3,-0.3 -1,-0.3 0.049 105.4 51.0 -93.7 27.6 9.2 130.4 -18.3 25 28 A H S < S- 0 0 68 -3,-1.4 2,-0.8 2,-0.0 342,-0.1 -0.968 90.5-102.2-148.0 163.4 10.9 133.7 -19.4 26 29 A D + 0 0 130 -2,-0.3 2,-0.3 341,-0.2 -3,-0.1 -0.852 64.0 160.2 -89.0 113.3 14.1 135.6 -18.9 27 30 A V - 0 0 32 -2,-0.8 2,-0.7 -5,-0.1 344,-0.2 -0.919 52.1-127.9-138.5 147.4 13.0 138.2 -16.4 28 31 A V E -a 371 0A 8 342,-2.4 344,-2.3 -2,-0.3 2,-0.9 -0.945 42.6-133.8 -93.3 119.8 14.1 140.6 -13.7 29 32 A N E +a 372 0A 32 -2,-0.7 3,-0.1 342,-0.2 344,-0.1 -0.645 46.5 148.7 -89.3 104.6 11.9 139.5 -10.8 30 33 A L + 0 0 0 -2,-0.9 365,-2.3 342,-0.7 344,-0.2 0.210 59.3 74.8-116.6 12.9 10.2 142.3 -9.0 31 34 A G S S+ 0 0 2 342,-0.2 2,-0.4 363,-0.2 -1,-0.1 0.436 70.6 106.1-100.7 -5.5 7.0 140.7 -7.8 32 35 A Q - 0 0 52 363,-0.1 2,-0.7 340,-0.1 342,-0.0 -0.638 64.0-147.7 -80.8 125.3 8.7 138.7 -5.1 33 36 A G S S+ 0 0 1 -2,-0.4 -1,-0.1 2,-0.0 301,-0.1 -0.132 73.2 75.2 -84.1 42.6 8.1 140.0 -1.5 34 37 A F S S- 0 0 73 -2,-0.7 -2,-0.1 363,-0.1 208,-0.1 -0.994 84.3-101.6-148.2 150.2 11.6 138.9 -0.3 35 38 A P - 0 0 11 0, 0.0 363,-0.2 0, 0.0 212,-0.1 -0.248 14.6-152.8 -65.4 159.9 15.2 140.2 -0.7 36 39 A D S S+ 0 0 69 361,-0.2 362,-0.1 2,-0.1 366,-0.0 -0.080 77.1 74.9-122.7 32.2 17.6 138.5 -3.1 37 40 A F S S- 0 0 43 360,-0.1 362,-0.0 208,-0.1 360,-0.0 -0.819 97.0 -82.0-126.5 170.5 20.7 139.4 -1.1 38 41 A P - 0 0 94 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.273 42.4-103.2 -72.5 160.4 21.7 137.7 2.2 39 42 A P - 0 0 30 0, 0.0 206,-0.2 0, 0.0 207,-0.1 -0.276 61.9 -73.8 -63.1 167.1 20.2 138.5 5.7 40 43 A P >> - 0 0 19 0, 0.0 4,-1.9 0, 0.0 3,-1.3 -0.368 47.0-112.3 -66.3 151.5 22.7 140.6 7.8 41 44 A D H 3> S+ 0 0 118 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.806 112.4 59.6 -50.1 -40.3 25.7 138.6 9.1 42 45 A F H 3> S+ 0 0 26 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.785 109.0 44.9 -69.9 -22.4 24.7 138.8 12.8 43 46 A A H <> S+ 0 0 0 -3,-1.3 4,-2.2 2,-0.2 -2,-0.2 0.908 112.2 48.1 -88.8 -47.2 21.4 137.0 12.0 44 47 A V H X S+ 0 0 47 -4,-1.9 4,-3.0 1,-0.2 3,-0.3 0.968 113.8 50.5 -49.9 -52.5 22.8 134.2 9.7 45 48 A E H X S+ 0 0 81 -4,-2.6 4,-3.1 1,-0.2 -1,-0.2 0.870 105.2 56.3 -58.6 -35.6 25.4 133.7 12.4 46 49 A A H X S+ 0 0 1 -4,-0.9 4,-2.0 -5,-0.2 -1,-0.2 0.907 109.3 45.9 -61.6 -40.6 22.7 133.5 15.0 47 50 A F H >X S+ 0 0 62 -4,-2.2 4,-2.2 -3,-0.3 3,-0.6 0.995 111.1 52.3 -61.0 -62.4 21.1 130.7 13.1 48 51 A Q H 3< S+ 0 0 107 -4,-3.0 4,-0.5 1,-0.2 -2,-0.2 0.863 110.8 49.7 -36.3 -49.6 24.5 129.1 12.7 49 52 A H H >< S+ 0 0 94 -4,-3.1 3,-0.8 -5,-0.2 4,-0.5 0.900 108.6 50.2 -62.2 -41.3 24.9 129.3 16.5 50 53 A A H << S+ 0 0 7 -4,-2.0 3,-0.3 -3,-0.6 -1,-0.2 0.823 112.2 47.7 -69.6 -31.9 21.5 127.8 17.4 51 54 A V T 3< S+ 0 0 81 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.453 120.5 38.1 -86.1 -1.0 22.1 124.8 15.1 52 55 A S S < S+ 0 0 95 -3,-0.8 -2,-0.2 -4,-0.5 -1,-0.2 0.232 106.9 71.3-128.0 14.9 25.7 124.2 16.5 53 56 A G S S+ 0 0 47 -4,-0.5 2,-0.4 -3,-0.3 -3,-0.1 0.269 97.7 3.5-102.9-133.9 25.2 124.9 20.2 54 57 A D > - 0 0 100 1,-0.2 3,-2.8 2,-0.1 -1,-0.3 -0.377 69.1-140.6 -58.9 111.9 23.5 123.1 23.0 55 58 A F G > S+ 0 0 149 -2,-0.4 3,-2.0 1,-0.3 -1,-0.2 0.683 95.3 74.5 -50.4 -22.0 22.3 119.9 21.2 56 59 A M G > S+ 0 0 97 1,-0.3 3,-1.8 2,-0.2 -1,-0.3 0.687 75.6 79.0 -69.7 -17.6 19.0 120.1 23.1 57 60 A L G < S+ 0 0 23 -3,-2.8 -1,-0.3 1,-0.3 221,-0.3 0.628 81.0 67.0 -61.2 -13.0 18.1 122.9 20.9 58 61 A N G < S+ 0 0 93 -3,-2.0 -1,-0.3 -4,-0.2 -2,-0.2 0.661 97.3 71.2 -78.4 -15.1 17.3 120.2 18.3 59 62 A Q S < S- 0 0 103 -3,-1.8 218,-0.1 1,-0.2 -3,-0.0 -0.410 100.7 -59.0 -95.6 172.0 14.4 119.1 20.5 60 63 A Y - 0 0 182 -2,-0.1 -1,-0.2 1,-0.1 2,-0.2 -0.116 47.0-163.9 -45.1 136.6 11.1 120.6 21.5 61 64 A T - 0 0 23 214,-0.4 5,-0.1 1,-0.2 -1,-0.1 -0.460 44.4 -50.6-106.0-169.6 10.8 124.0 23.1 62 65 A K > - 0 0 139 3,-0.3 3,-1.3 -2,-0.2 213,-0.4 -0.299 50.6-120.2 -69.8 150.4 7.9 125.5 24.9 63 66 A T T 3 S+ 0 0 31 1,-0.3 212,-0.2 211,-0.1 3,-0.1 0.856 108.1 38.6 -60.6 -43.0 4.5 125.5 23.3 64 67 A F T 3 S- 0 0 43 1,-0.3 29,-1.2 210,-0.1 -1,-0.3 0.234 130.2 -39.6 -98.4 12.4 3.9 129.2 23.2 65 68 A G < - 0 0 5 -3,-1.3 -1,-0.3 27,-0.2 -3,-0.3 -0.426 64.1 -79.5 142.6 144.5 7.4 130.2 22.4 66 69 A Y >> - 0 0 42 210,-0.2 4,-2.1 -2,-0.1 3,-1.6 -0.601 49.9-130.6 -64.9 119.9 11.1 129.7 23.0 67 70 A P H 3> S+ 0 0 59 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.830 104.3 52.9 -53.1 -46.7 11.5 131.5 26.3 68 71 A P H 3> S+ 0 0 49 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.835 113.7 47.5 -51.1 -33.1 14.6 133.6 25.3 69 72 A L H <> S+ 0 0 0 -3,-1.6 4,-2.0 2,-0.2 5,-0.1 0.894 111.9 45.8 -78.1 -37.9 12.6 134.7 22.3 70 73 A T H X S+ 0 0 14 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.855 111.3 57.0 -71.0 -31.8 9.4 135.5 24.3 71 74 A K H X S+ 0 0 153 -4,-3.0 4,-2.1 -5,-0.3 -2,-0.2 0.947 111.0 40.0 -57.6 -55.3 11.8 137.4 26.8 72 75 A I H X>S+ 0 0 8 -4,-1.8 4,-2.5 2,-0.2 5,-0.6 0.844 114.4 54.5 -67.0 -32.8 13.2 139.7 24.1 73 76 A L H X>S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 5,-0.6 0.991 111.2 44.2 -62.3 -59.6 9.8 140.1 22.5 74 77 A A H X5S+ 0 0 11 -4,-2.7 4,-1.6 3,-0.2 11,-0.4 0.890 119.7 44.0 -43.0 -50.1 8.2 141.3 25.8 75 78 A S H X5S+ 0 0 58 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.972 120.2 34.2 -69.4 -59.1 11.2 143.5 26.6 76 79 A F H X5S+ 0 0 2 -4,-2.5 4,-2.1 2,-0.2 -3,-0.2 0.945 125.4 41.3 -63.8 -52.4 11.9 145.3 23.3 77 80 A F H X> - 0 0 58 -2,-0.7 4,-2.6 1,-0.1 3,-0.7 -0.776 13.0-144.6 -83.1 123.1 4.3 139.5 30.0 87 90 A P H 3> S+ 0 0 38 0, 0.0 4,-0.8 0, 0.0 -1,-0.1 0.834 96.2 45.6 -62.6 -30.8 6.0 136.9 27.8 88 91 A L H 34 S+ 0 0 122 1,-0.2 -17,-0.0 2,-0.1 -24,-0.0 0.707 125.1 28.2 -88.1 -21.2 3.8 134.1 28.9 89 92 A R H <4 S+ 0 0 124 -3,-0.7 172,-0.2 3,-0.0 -1,-0.2 0.572 129.7 34.7-112.5 -14.6 0.5 135.8 28.8 90 93 A N H < S+ 0 0 7 -4,-2.6 166,-1.8 1,-0.1 2,-0.4 0.424 104.0 65.5-124.7 0.8 1.0 138.4 26.1 91 94 A V E < +B 255 0B 1 -4,-0.8 2,-0.4 -5,-0.3 164,-0.2 -0.990 47.5 179.3-132.6 132.2 3.3 136.8 23.4 92 95 A L E -B 254 0B 0 162,-1.9 162,-2.0 -2,-0.4 2,-0.4 -0.982 20.1-143.8-133.6 123.3 2.8 133.9 21.0 93 96 A V E +B 253 0B 0 -29,-1.2 160,-0.3 -2,-0.4 2,-0.3 -0.735 30.1 178.7 -86.9 137.5 5.4 132.8 18.5 94 97 A T E -B 252 0B 1 158,-2.6 158,-2.1 -2,-0.4 2,-1.9 -0.806 44.7 -79.9-136.3 165.0 3.8 131.6 15.3 95 98 A V S > S- 0 0 56 -2,-0.3 4,-2.1 156,-0.2 156,-0.3 -0.563 97.4 -54.3 -73.7 88.5 4.7 130.2 11.9 96 99 A G H > S- 0 0 0 -2,-1.9 4,-1.8 154,-0.3 156,-0.4 0.274 79.7 -65.3 59.4 171.2 5.5 133.6 10.5 97 100 A G H > S+ 0 0 0 154,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.838 137.0 62.6 -55.6 -30.6 3.2 136.6 10.5 98 101 A Y H > S+ 0 0 68 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.929 104.3 44.8 -56.5 -52.3 1.0 134.4 8.1 99 102 A G H X S+ 0 0 15 -4,-2.1 4,-2.6 -3,-0.2 -1,-0.2 0.822 111.1 56.7 -62.2 -31.6 0.5 131.8 10.8 100 103 A A H X S+ 0 0 0 -4,-1.8 4,-3.2 2,-0.2 -2,-0.2 0.939 108.0 45.0 -64.7 -52.1 -0.1 134.6 13.3 101 104 A L H X S+ 0 0 0 -4,-2.4 4,-3.3 2,-0.2 5,-0.2 0.907 113.5 51.4 -51.9 -47.1 -3.0 136.1 11.2 102 105 A F H X S+ 0 0 66 -4,-2.2 4,-3.1 2,-0.2 5,-0.2 0.949 110.7 47.4 -63.8 -49.4 -4.4 132.6 10.7 103 106 A T H X S+ 0 0 6 -4,-2.6 4,-1.7 2,-0.2 -1,-0.2 0.950 113.3 49.4 -53.3 -54.9 -4.2 131.9 14.5 104 107 A A H >X S+ 0 0 0 -4,-3.2 4,-2.0 1,-0.2 3,-0.7 0.941 112.6 46.1 -50.4 -57.7 -5.9 135.3 15.2 105 108 A F H 3X S+ 0 0 0 -4,-3.3 4,-2.4 1,-0.2 -1,-0.2 0.880 112.7 50.1 -53.8 -44.2 -8.7 134.7 12.6 106 109 A Q H 3< S+ 0 0 70 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.784 112.4 49.3 -66.7 -24.0 -9.4 131.1 13.8 107 110 A A H << S+ 0 0 28 -4,-1.7 -2,-0.2 -3,-0.7 -1,-0.2 0.856 126.3 18.9 -80.2 -38.5 -9.6 132.4 17.4 108 111 A L H < S+ 0 0 25 -4,-2.0 2,-0.4 -5,-0.2 -2,-0.2 0.748 99.8 84.3-111.7 -28.3 -12.0 135.3 16.9 109 112 A V < + 0 0 10 -4,-2.4 2,-0.3 -5,-0.3 25,-0.1 -0.696 49.5 165.6 -95.5 133.2 -14.0 135.0 13.7 110 113 A D > - 0 0 111 -2,-0.4 3,-2.6 23,-0.1 23,-0.1 -0.862 51.0 -58.6-139.1 161.4 -17.2 132.9 13.7 111 114 A E T 3 S+ 0 0 156 -2,-0.3 23,-0.2 1,-0.3 22,-0.1 -0.230 126.3 19.4 -46.1 117.6 -20.2 132.4 11.4 112 115 A G T 3 S+ 0 0 22 21,-1.4 -1,-0.3 1,-0.4 22,-0.1 -0.088 89.8 126.2 113.6 -36.8 -21.7 135.9 11.2 113 116 A D < - 0 0 27 -3,-2.6 22,-2.3 57,-0.1 -1,-0.4 -0.277 49.9-142.9 -69.1 143.1 -18.9 138.0 12.2 114 117 A E E -cd 135 170B 15 55,-3.2 57,-2.5 20,-0.2 58,-1.2 -0.781 9.0-160.2-102.5 149.2 -17.9 140.8 9.9 115 118 A V E -cd 136 172B 0 20,-1.7 22,-3.0 -2,-0.3 2,-0.6 -0.989 14.8-137.8-131.9 119.3 -14.2 141.7 9.5 116 119 A I E -cd 137 173B 0 56,-2.4 58,-3.0 -2,-0.4 2,-0.4 -0.707 23.5-172.8 -83.1 123.3 -13.5 145.1 8.1 117 120 A I E -cd 138 174B 0 20,-3.0 22,-1.7 -2,-0.6 2,-0.6 -0.959 15.0-141.4-118.6 133.4 -10.7 144.9 5.6 118 121 A I E -c 139 0B 8 56,-0.7 22,-0.2 -2,-0.4 58,-0.1 -0.865 33.5-101.1-103.9 123.1 -9.1 148.0 4.1 119 122 A E E S+c 140 0B 0 20,-3.6 22,-2.6 -2,-0.6 261,-0.1 -0.586 104.6 49.6 -87.5 151.4 -8.2 147.9 0.4 120 123 A P S S+ 0 0 0 0, 0.0 2,-0.4 0, 0.0 62,-0.3 0.545 91.1 177.8 -66.3 136.4 -5.7 147.5 -1.0 121 124 A F - 0 0 2 258,-2.4 -2,-0.1 -2,-0.1 5,-0.1 -0.896 42.1-101.1-116.3 139.1 -5.3 144.5 1.3 122 125 A F > - 0 0 0 -2,-0.4 3,-2.1 58,-0.3 4,-0.3 -0.371 50.6-120.4 -46.4 128.3 -2.7 141.7 1.7 123 126 A D T > S+ 0 0 15 1,-0.3 3,-0.9 2,-0.1 -1,-0.2 0.735 101.4 65.3 -66.9 -26.0 -4.7 139.1 -0.1 124 127 A C T 3> S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 5,-0.3 0.686 79.9 80.4 -71.7 -13.5 -5.0 136.5 2.6 125 128 A Y H <> S+ 0 0 3 -3,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.929 95.9 47.4 -57.4 -39.3 -7.1 138.7 4.9 126 129 A E H <> S+ 0 0 46 -3,-0.9 4,-2.7 -4,-0.3 5,-0.2 0.983 112.7 42.0 -72.2 -57.0 -10.1 137.8 2.9 127 130 A P H > S+ 0 0 37 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.853 113.7 54.9 -58.2 -29.9 -9.9 134.0 2.5 128 131 A M H X S+ 0 0 16 -4,-2.1 4,-0.9 2,-0.2 -2,-0.2 0.939 109.9 46.3 -71.0 -42.6 -8.8 133.6 6.2 129 132 A T H ><>S+ 0 0 0 -4,-1.8 5,-2.5 -5,-0.3 3,-0.7 0.927 113.6 50.1 -54.8 -50.1 -11.9 135.5 7.2 130 133 A M H ><5S+ 0 0 71 -4,-2.7 3,-1.6 1,-0.2 -2,-0.2 0.883 106.7 52.7 -61.7 -43.5 -14.0 133.3 4.8 131 134 A M H 3<5S+ 0 0 49 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.732 108.3 53.8 -61.8 -21.0 -12.5 130.0 6.1 132 135 A A T <<5S- 0 0 16 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.468 122.2-108.3 -95.4 -3.9 -13.5 131.2 9.6 133 136 A G T < 5S+ 0 0 13 -3,-1.6 -21,-1.4 -4,-0.2 -3,-0.2 0.435 74.8 134.8 94.4 1.4 -17.1 131.8 8.5 134 137 A G < - 0 0 8 -5,-2.5 -1,-0.2 -23,-0.2 -20,-0.2 -0.078 54.9-124.1 -82.2-179.2 -16.8 135.6 8.6 135 138 A R E -c 114 0B 132 -22,-2.3 -20,-1.7 -3,-0.1 -1,-0.1 -0.953 22.2-134.3-128.2 110.1 -18.0 138.1 6.1 136 139 A P E -c 115 0B 23 0, 0.0 2,-0.5 0, 0.0 -20,-0.2 -0.385 16.5-162.8 -64.7 140.2 -15.4 140.5 4.8 137 140 A V E -c 116 0B 20 -22,-3.0 -20,-3.0 2,-0.0 2,-0.2 -0.998 15.5-147.5-123.4 126.4 -16.6 144.1 4.8 138 141 A F E +c 117 0B 34 -2,-0.5 2,-0.3 -22,-0.2 -20,-0.2 -0.628 21.1 178.2 -97.8 147.8 -14.4 146.2 2.6 139 142 A V E -c 118 0B 2 -22,-1.7 -20,-3.6 -2,-0.2 2,-0.5 -0.981 22.8-135.4-137.9 147.1 -13.3 149.9 2.7 140 143 A S E -c 119 0B 4 -2,-0.3 18,-0.5 -22,-0.2 2,-0.5 -0.878 8.2-135.3-109.6 132.7 -11.1 151.5 0.2 141 144 A L - 0 0 0 -22,-2.6 16,-0.2 -2,-0.5 14,-0.1 -0.708 32.4-153.7 -65.3 128.7 -8.2 153.8 0.7 142 145 A K B -H 156 0C 92 14,-2.1 14,-3.7 -2,-0.5 2,-0.1 -0.946 13.0-120.0-113.2 129.1 -8.9 156.4 -2.0 143 146 A P - 0 0 55 0, 0.0 12,-0.2 0, 0.0 9,-0.1 -0.420 32.2-115.1 -67.9 145.5 -6.0 158.4 -3.5 144 147 A G 0 0 35 10,-0.5 10,-0.1 7,-0.3 7,-0.1 -0.056 360.0 360.0 -73.4 175.5 -6.1 162.3 -3.0 145 148 A P 0 0 191 0, 0.0 -1,-0.1 0, 0.0 9,-0.0 0.720 360.0 360.0 -87.3 360.0 -6.5 164.9 -5.8 146 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 147 152 A G 0 0 136 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-147.6 2.7 167.2 -9.2 148 153 A E + 0 0 113 1,-0.7 2,-0.3 178,-0.1 177,-0.0 0.007 360.0 81.0-177.1 -50.5 2.2 163.9 -11.2 149 154 A L S S- 0 0 59 1,-0.1 -1,-0.7 178,-0.0 178,-0.2 -0.603 78.5-137.8 -61.9 128.1 4.1 161.3 -9.1 150 155 A G E -i 327 0D 28 176,-1.6 178,-2.2 -2,-0.3 2,-0.4 -0.182 6.2-134.7 -85.2-178.8 1.8 160.2 -6.2 151 156 A S E > -i 328 0D 36 176,-0.3 3,-1.6 1,-0.1 -7,-0.3 -0.996 11.2-139.1-142.4 134.6 2.3 159.5 -2.5 152 157 A S G > S+ 0 0 0 176,-2.8 3,-1.7 -2,-0.4 32,-0.2 0.819 102.7 62.6 -57.5 -35.9 1.0 156.7 -0.4 153 158 A S G 3 S+ 0 0 36 175,-0.3 -1,-0.3 1,-0.3 34,-0.1 0.599 93.4 64.4 -74.1 -11.2 0.1 159.0 2.5 154 159 A N G < S+ 0 0 88 -3,-1.6 2,-0.6 -10,-0.1 -10,-0.5 0.542 73.9 102.7 -85.6 -6.3 -2.4 160.8 0.2 155 160 A W S < S- 0 0 3 -3,-1.7 2,-0.3 -4,-0.3 -14,-0.1 -0.697 71.1-146.4 -74.5 120.0 -4.5 157.7 0.0 156 161 A Q B -H 142 0C 99 -14,-3.7 -14,-2.1 -2,-0.6 2,-0.9 -0.686 22.1-146.1-104.3 140.6 -7.2 158.6 2.4 157 162 A L - 0 0 5 -2,-0.3 -16,-0.1 -16,-0.2 -2,-0.0 -0.844 32.2-136.4 -95.1 94.4 -9.3 156.5 4.8 158 163 A D > - 0 0 62 -2,-0.9 4,-2.7 -18,-0.5 5,-0.2 -0.318 7.8-148.0 -56.3 114.3 -12.6 158.5 4.6 159 164 A P H > S+ 0 0 79 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.861 94.6 46.6 -56.6 -37.8 -13.8 158.8 8.2 160 165 A M H > S+ 0 0 157 2,-0.2 4,-2.1 1,-0.2 -2,-0.1 0.922 114.0 47.1 -70.7 -44.0 -17.6 158.7 7.3 161 166 A E H > S+ 0 0 63 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.891 113.4 49.6 -61.2 -45.6 -17.2 155.8 4.9 162 167 A L H >X S+ 0 0 0 -4,-2.7 3,-1.1 1,-0.2 4,-0.6 0.952 109.6 50.0 -58.6 -54.1 -15.1 153.9 7.5 163 168 A A H >< S+ 0 0 39 -4,-2.4 3,-1.1 1,-0.2 -2,-0.2 0.859 105.3 59.5 -51.9 -42.2 -17.7 154.5 10.4 164 169 A G H 3< S+ 0 0 61 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.788 93.9 64.8 -58.6 -31.2 -20.5 153.3 8.1 165 170 A K H << S+ 0 0 70 -3,-1.1 2,-0.4 -4,-1.0 -1,-0.2 0.757 83.5 95.0 -62.4 -28.6 -18.8 149.8 7.7 166 171 A F << + 0 0 15 -3,-1.1 2,-0.2 -4,-0.6 -3,-0.0 -0.527 47.6 160.7 -73.7 125.0 -19.3 149.1 11.5 167 172 A T > - 0 0 55 -2,-0.4 3,-1.2 -53,-0.0 -53,-0.1 -0.678 58.5 -92.5-121.2-172.6 -22.3 147.1 12.5 168 173 A S T 3 S+ 0 0 126 1,-0.2 -2,-0.1 -2,-0.2 0, 0.0 0.636 124.4 61.7 -75.6 -9.8 -23.1 145.2 15.6 169 174 A R T 3 S+ 0 0 162 -56,-0.1 -55,-3.2 -57,-0.0 2,-0.6 0.388 73.5 116.9 -95.0 -0.2 -21.7 142.1 13.8 170 175 A T E < +d 114 0B 10 -3,-1.2 -55,-0.2 -57,-0.2 3,-0.1 -0.615 30.4 168.1 -69.9 114.5 -18.2 143.5 13.4 171 176 A K E + 0 0 80 -57,-2.5 33,-2.9 -2,-0.6 2,-0.3 0.847 61.4 2.1 -85.5 -43.5 -15.8 141.3 15.3 172 177 A A E -de 115 204B 0 -58,-1.2 -56,-2.4 31,-0.2 2,-0.4 -0.960 50.6-144.8-147.3 152.3 -12.4 142.7 14.0 173 178 A L E -de 116 205B 0 31,-2.3 33,-1.0 -2,-0.3 2,-0.8 -0.993 21.9-140.2-120.2 132.3 -10.7 145.2 11.8 174 179 A V E -de 117 206B 2 -58,-3.0 -56,-0.7 -2,-0.4 2,-0.5 -0.820 21.8-175.3 -95.5 114.1 -7.6 144.2 9.9 175 180 A L E - e 0 207B 0 31,-3.1 33,-2.8 -2,-0.8 2,-0.5 -0.917 4.2-170.6-108.3 128.7 -5.1 147.1 10.0 176 181 A N E - e 0 208B 7 -2,-0.5 33,-0.2 31,-0.2 8,-0.1 -0.925 11.8-158.6-124.3 110.2 -1.9 146.6 8.0 177 182 A T S S+ 0 0 1 31,-1.2 35,-0.2 -2,-0.5 2,-0.2 -0.987 82.6 28.4-147.0 131.9 0.8 149.2 8.5 178 183 A P S S- 0 0 0 0, 0.0 33,-0.4 0, 0.0 2,-0.3 0.598 111.5-123.6 -59.7 153.5 3.0 149.9 6.8 179 184 A N > - 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