==== 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 1W7L . COMPND 2 MOLECULE: KYNURENINE--OXOGLUTARATE TRANSAMINASE I; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR F.ROSSI,Q.HAN,J.LI,J.LI,M.RIZZI . 415 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18615.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 295 71.1 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 . 28 6.7 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 . 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 . 28 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 139 33.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.7 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 3 0 1 2 0 1 1 0 1 2 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 . 1 2 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 . 2 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 -45.5 -18.8 117.7 -0.4 2 5 A L + 0 0 169 2,-0.1 2,-0.1 0, 0.0 0, 0.0 0.940 360.0 58.4 -64.3 -46.9 -15.6 115.8 0.4 3 6 A Q S S- 0 0 107 1,-0.1 2,-0.1 2,-0.0 0, 0.0 -0.388 99.3 -94.3 -85.2 158.5 -14.0 119.1 1.6 4 7 A A > - 0 0 39 1,-0.1 3,-1.5 -2,-0.1 -1,-0.1 -0.380 28.7-122.8 -68.8 147.3 -15.3 121.4 4.4 5 8 A R G > S+ 0 0 211 1,-0.3 3,-2.5 2,-0.2 -1,-0.1 0.764 103.9 77.3 -60.8 -28.9 -17.5 124.3 3.5 6 9 A R G 3 S+ 0 0 148 1,-0.3 -1,-0.3 3,-0.0 127,-0.2 0.673 87.2 63.2 -57.2 -16.0 -15.1 126.8 5.1 7 10 A L G X S+ 0 0 74 -3,-1.5 3,-1.7 2,-0.1 4,-0.4 0.522 73.7 127.4 -86.2 -5.9 -13.0 126.3 1.9 8 11 A D T < S- 0 0 98 -3,-2.5 -3,-0.0 1,-0.3 -4,-0.0 -0.298 83.0 -5.1 -57.3 124.4 -15.7 127.7 -0.4 9 12 A G T 3 S+ 0 0 62 1,-0.1 -1,-0.3 -2,-0.1 3,-0.1 0.489 113.2 88.1 75.2 5.5 -14.3 130.5 -2.6 10 13 A I < + 0 0 40 -3,-1.7 -2,-0.1 1,-0.1 -1,-0.1 0.279 57.9 90.4-116.9 8.7 -10.8 130.7 -1.1 11 14 A D + 0 0 143 -4,-0.4 2,-0.3 2,-0.0 -1,-0.1 0.718 64.8 93.6 -80.7 -20.1 -9.0 128.1 -3.2 12 15 A Y - 0 0 150 -3,-0.1 3,-0.0 2,-0.0 0, 0.0 -0.597 52.8-167.3 -83.4 131.0 -7.8 130.4 -6.0 13 16 A N > - 0 0 78 -2,-0.3 3,-0.6 1,-0.1 4,-0.5 -0.954 8.7-162.9-115.0 108.8 -4.4 132.1 -5.8 14 17 A P T 3> S+ 0 0 25 0, 0.0 4,-0.6 0, 0.0 -1,-0.1 0.647 83.3 73.3 -66.9 -12.2 -4.0 134.9 -8.4 15 18 A W H >> S+ 0 0 56 1,-0.2 4,-1.7 2,-0.1 3,-1.4 0.949 80.8 65.6 -61.9 -55.9 -0.2 134.6 -7.8 16 19 A V H <> S+ 0 0 91 -3,-0.6 4,-2.7 1,-0.3 5,-0.3 0.797 93.6 57.8 -43.8 -55.8 0.5 131.3 -9.7 17 20 A E H 3> S+ 0 0 81 -4,-0.5 4,-1.8 1,-0.2 -1,-0.3 0.837 113.3 40.0 -42.5 -47.5 -0.4 132.5 -13.2 18 21 A F H < S+ 0 0 28 -4,-1.8 3,-0.6 -5,-0.3 -2,-0.2 0.862 111.1 52.5 -66.7 -37.5 4.7 133.3 -16.8 22 25 A A H >< S+ 0 0 6 -4,-2.8 3,-1.2 1,-0.2 -1,-0.2 0.863 103.6 57.9 -64.7 -37.3 7.8 135.0 -15.2 23 26 A S H 3< S+ 0 0 96 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.686 102.5 54.4 -70.0 -20.5 9.7 131.7 -15.0 24 27 A E T << S+ 0 0 104 -4,-0.7 2,-0.3 -3,-0.6 -1,-0.3 -0.002 106.9 56.6-103.8 27.2 9.4 131.1 -18.8 25 28 A H S < S- 0 0 69 -3,-1.2 2,-0.8 345,-0.0 342,-0.1 -0.961 91.0 -99.1-147.1 161.1 10.9 134.4 -19.8 26 29 A D + 0 0 128 -2,-0.3 2,-0.3 341,-0.1 -3,-0.1 -0.803 64.2 159.7 -83.5 114.2 14.1 136.5 -19.3 27 30 A V - 0 0 39 -2,-0.8 2,-0.6 -5,-0.1 344,-0.2 -0.926 53.3-132.7-138.3 155.1 13.1 138.9 -16.6 28 31 A V E -a 371 0A 11 342,-2.6 344,-2.2 -2,-0.3 2,-1.1 -0.976 40.3-139.7 -98.6 118.1 14.1 141.3 -13.9 29 32 A N E +a 372 0A 37 -2,-0.6 3,-0.2 342,-0.2 344,-0.1 -0.675 43.4 151.9 -92.2 96.8 11.7 140.2 -11.1 30 33 A L + 0 0 0 342,-1.2 365,-1.9 -2,-1.1 344,-0.2 0.212 63.6 77.9-102.3 12.5 10.4 143.1 -9.2 31 34 A G + 0 0 4 342,-0.2 2,-0.4 363,-0.2 -1,-0.2 0.670 69.6 99.6 -89.4 -21.6 7.2 141.3 -8.2 32 35 A Q - 0 0 73 -3,-0.2 2,-0.7 363,-0.1 4,-0.1 -0.543 66.0-148.6 -74.5 125.1 8.9 139.3 -5.5 33 36 A G + 0 0 20 -2,-0.4 -1,-0.1 363,-0.1 300,-0.1 -0.238 68.9 74.7 -90.0 44.1 8.3 140.7 -2.0 34 37 A F S S- 0 0 81 -2,-0.7 -2,-0.1 363,-0.1 208,-0.1 -0.985 86.9 -91.2-149.8 154.6 11.6 139.7 -0.5 35 38 A P - 0 0 14 0, 0.0 363,-0.2 0, 0.0 212,-0.1 -0.357 18.8-155.2 -62.8 142.9 15.3 140.8 -0.7 36 39 A D S S+ 0 0 66 361,-0.4 362,-0.1 2,-0.1 366,-0.0 -0.084 77.0 72.5-106.0 30.5 17.6 139.1 -3.3 37 40 A F S S- 0 0 40 360,-0.1 360,-0.0 208,-0.1 362,-0.0 -0.878 96.3 -79.6-133.6 166.6 20.6 139.9 -1.1 38 41 A P - 0 0 96 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.239 42.6-108.9 -67.5 156.3 21.7 138.3 2.2 39 42 A P - 0 0 30 0, 0.0 206,-0.1 0, 0.0 207,-0.1 -0.277 60.6 -69.7 -64.0 169.4 20.3 139.2 5.6 40 43 A P >> - 0 0 18 0, 0.0 4,-1.7 0, 0.0 3,-1.3 -0.326 47.2-111.4 -64.5 150.0 22.7 141.2 7.8 41 44 A D H 3> S+ 0 0 120 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.853 116.2 56.3 -50.1 -44.5 25.8 139.3 9.1 42 45 A F H 3> S+ 0 0 23 2,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.819 107.7 49.0 -60.8 -30.2 24.6 139.4 12.7 43 46 A A H <> S+ 0 0 0 -3,-1.3 4,-1.6 2,-0.2 -2,-0.2 0.958 113.0 44.6 -74.8 -51.3 21.3 137.7 11.8 44 47 A V H X S+ 0 0 47 -4,-1.7 4,-2.6 1,-0.2 3,-0.2 0.913 114.5 50.5 -56.2 -45.4 22.9 134.9 9.7 45 48 A E H X S+ 0 0 85 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.869 104.7 58.3 -62.5 -38.6 25.5 134.4 12.4 46 49 A A H X S+ 0 0 0 -4,-1.5 4,-1.3 -5,-0.2 -1,-0.2 0.871 109.6 43.3 -57.7 -42.3 22.7 134.2 15.0 47 50 A F H X S+ 0 0 60 -4,-1.6 4,-1.8 -3,-0.2 -2,-0.2 0.906 111.4 54.6 -69.1 -43.8 21.1 131.3 13.2 48 51 A Q H < S+ 0 0 112 -4,-2.6 -2,-0.2 1,-0.2 4,-0.2 0.901 109.7 48.3 -54.5 -42.7 24.6 129.7 12.7 49 52 A H H >< S+ 0 0 93 -4,-2.7 3,-0.8 1,-0.2 4,-0.5 0.830 107.1 56.1 -65.4 -36.4 25.0 129.9 16.5 50 53 A A H 3< S+ 0 0 6 -4,-1.3 3,-0.3 1,-0.2 -1,-0.2 0.840 109.9 44.3 -67.8 -34.5 21.6 128.4 17.2 51 54 A V T 3< S+ 0 0 87 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.296 120.0 41.2 -95.3 8.5 22.4 125.2 15.1 52 55 A S S < S+ 0 0 95 -3,-0.8 -2,-0.2 -4,-0.2 -1,-0.2 0.221 105.6 73.0-131.3 10.3 25.9 124.8 16.6 53 56 A G S S+ 0 0 46 -4,-0.5 -3,-0.1 1,-0.3 2,-0.1 0.283 97.0 1.8 -97.4-139.6 25.2 125.6 20.3 54 57 A D > - 0 0 101 1,-0.2 3,-2.0 2,-0.1 -1,-0.3 -0.320 66.3-139.9 -47.6 118.5 23.4 123.7 23.0 55 58 A F G > S+ 0 0 152 1,-0.3 3,-1.7 2,-0.2 -1,-0.2 0.763 97.3 70.9 -57.6 -26.2 22.4 120.5 21.3 56 59 A M G > S+ 0 0 98 1,-0.3 3,-1.9 2,-0.2 -1,-0.3 0.611 75.5 80.0 -70.1 -12.4 19.0 120.6 23.2 57 60 A L G < S+ 0 0 23 -3,-2.0 221,-0.3 1,-0.3 -1,-0.3 0.609 82.0 68.6 -66.3 -10.2 18.0 123.5 20.9 58 61 A N G < S+ 0 0 95 -3,-1.7 -1,-0.3 -4,-0.1 -2,-0.2 0.579 94.9 70.4 -80.7 -11.7 17.3 120.7 18.4 59 62 A Q S < S- 0 0 108 -3,-1.9 218,-0.1 1,-0.2 219,-0.0 -0.521 101.5 -63.1-104.5 171.2 14.4 119.6 20.7 60 63 A Y - 0 0 182 -2,-0.2 -1,-0.2 1,-0.1 2,-0.2 -0.132 47.6-162.7 -52.2 141.5 11.0 121.2 21.4 61 64 A T - 0 0 23 214,-0.4 5,-0.1 1,-0.2 2,-0.1 -0.358 44.5 -46.8-104.5-162.0 10.9 124.5 23.2 62 65 A K > - 0 0 141 3,-0.2 3,-1.3 -2,-0.2 213,-0.4 -0.406 50.2-123.1 -73.1 142.5 7.9 126.1 25.0 63 66 A T T 3 S+ 0 0 34 1,-0.3 212,-0.1 211,-0.1 3,-0.1 0.865 108.4 39.5 -53.3 -45.1 4.5 126.1 23.3 64 67 A F T 3 S- 0 0 41 1,-0.3 29,-1.6 28,-0.1 -1,-0.3 0.458 130.9 -42.2 -93.3 3.1 3.9 129.8 23.4 65 68 A G < - 0 0 5 -3,-1.3 -1,-0.3 27,-0.2 -3,-0.2 -0.505 62.5 -78.7 146.7 146.0 7.5 130.8 22.6 66 69 A Y >> - 0 0 44 210,-0.2 3,-1.9 -2,-0.2 4,-1.8 -0.562 52.7-130.8 -60.6 113.5 11.2 130.2 23.1 67 70 A P H 3> S+ 0 0 62 0, 0.0 4,-2.4 0, 0.0 -1,-0.1 0.784 103.4 53.6 -52.1 -41.5 11.5 132.1 26.4 68 71 A P H 3> S+ 0 0 46 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.797 112.1 49.2 -57.9 -28.9 14.6 134.2 25.5 69 72 A L H <> S+ 0 0 0 -3,-1.9 4,-2.3 2,-0.2 5,-0.2 0.937 111.5 44.5 -74.9 -48.3 12.6 135.3 22.4 70 73 A T H X S+ 0 0 13 -4,-1.8 4,-2.7 2,-0.2 5,-0.2 0.859 111.7 57.9 -64.3 -33.0 9.4 136.2 24.3 71 74 A K H X S+ 0 0 148 -4,-2.4 4,-2.1 -5,-0.3 -2,-0.2 0.960 110.6 39.1 -56.4 -58.3 11.6 138.0 26.9 72 75 A I H X S+ 0 0 10 -4,-1.7 4,-2.7 2,-0.2 5,-0.5 0.833 115.4 54.5 -67.1 -31.1 13.3 140.3 24.4 73 76 A L H X>S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 5,-0.5 0.969 110.8 44.5 -61.5 -51.8 9.9 140.8 22.5 74 77 A A H X5S+ 0 0 6 -4,-2.7 4,-1.2 3,-0.2 11,-0.4 0.883 120.2 41.7 -60.7 -40.2 8.2 141.9 25.7 75 78 A S H X5S+ 0 0 62 -4,-2.1 4,-1.6 -5,-0.2 -2,-0.2 0.944 120.3 38.7 -74.5 -53.0 11.1 144.2 26.8 76 79 A F H X5S+ 0 0 5 -4,-2.7 4,-1.8 2,-0.2 -3,-0.2 0.944 124.0 39.2 -68.3 -49.4 11.9 145.8 23.4 77 80 A F H X5S+ 0 0 4 -4,-2.3 4,-2.1 -5,-0.5 6,-0.2 0.810 109.5 62.3 -72.8 -29.3 8.4 146.1 22.2 78 81 A G H XXS+ 0 0 10 -4,-1.2 5,-2.7 -5,-0.5 4,-0.7 0.902 107.9 44.2 -54.4 -43.9 7.2 147.1 25.7 79 82 A E H <5S+ 0 0 151 -4,-1.6 3,-0.5 3,-0.2 -2,-0.2 0.906 113.1 50.4 -68.0 -43.4 9.5 150.1 25.4 80 83 A L H <5S+ 0 0 50 -4,-1.8 143,-0.2 1,-0.2 -2,-0.2 0.805 118.4 38.0 -65.9 -32.1 8.4 151.0 21.8 81 84 A L H <5S- 0 0 8 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.470 105.0-123.0 -95.8 -8.0 4.7 150.8 22.7 82 85 A G T <5S+ 0 0 70 -4,-0.7 2,-0.4 -3,-0.5 -3,-0.2 0.929 72.3 126.0 57.9 47.1 5.0 152.4 26.1 83 86 A Q < - 0 0 54 -5,-2.7 2,-0.7 -6,-0.2 -1,-0.2 -0.989 67.9-121.1-137.6 142.7 3.3 149.3 27.5 84 87 A E - 0 0 174 -2,-0.4 2,-0.5 -3,-0.1 -9,-0.1 -0.757 37.3-168.2 -80.7 115.6 4.1 146.8 30.2 85 88 A I - 0 0 18 -2,-0.7 -7,-0.1 -11,-0.4 3,-0.1 -0.932 14.2-154.1-113.9 121.3 4.3 143.4 28.4 86 89 A D > - 0 0 53 -2,-0.5 4,-2.7 1,-0.1 5,-0.4 -0.807 14.4-141.7 -87.2 123.5 4.4 140.1 30.2 87 90 A P H > S+ 0 0 42 0, 0.0 4,-1.1 0, 0.0 -1,-0.1 0.883 97.8 41.4 -49.8 -47.5 6.1 137.4 28.0 88 91 A L H 4 S+ 0 0 127 1,-0.2 -17,-0.0 2,-0.2 -2,-0.0 0.811 124.7 32.3 -76.5 -35.5 3.7 134.6 29.0 89 92 A R H 4 S+ 0 0 125 -3,-0.1 -1,-0.2 1,-0.1 172,-0.1 0.741 129.5 30.8 -90.9 -26.6 0.3 136.4 29.0 90 93 A N H < S+ 0 0 4 -4,-2.7 166,-1.8 171,-0.1 2,-0.4 0.396 104.6 68.3-121.7 -2.8 0.9 139.0 26.2 91 94 A V E < +B 255 0B 1 -4,-1.1 2,-0.4 -5,-0.4 164,-0.2 -0.982 47.1 178.7-125.7 134.3 3.3 137.4 23.6 92 95 A L E -B 254 0B 0 162,-2.0 162,-2.1 -2,-0.4 2,-0.4 -0.984 20.0-144.1-132.6 124.5 2.7 134.5 21.2 93 96 A V E +B 253 0B 0 -29,-1.6 160,-0.3 -2,-0.4 2,-0.2 -0.726 29.5 179.0 -85.2 136.6 5.4 133.3 18.7 94 97 A T E -B 252 0B 2 158,-2.3 158,-2.2 -2,-0.4 2,-2.0 -0.749 44.2 -83.5-131.5 174.1 3.8 132.2 15.4 95 98 A V S > S- 0 0 58 -2,-0.2 4,-1.9 156,-0.2 156,-0.3 -0.603 93.6 -59.4 -83.1 78.7 4.8 130.8 12.0 96 99 A G H > S- 0 0 0 -2,-2.0 4,-1.7 154,-0.3 156,-0.4 0.011 78.6 -59.1 74.9 176.1 5.5 134.2 10.6 97 100 A G H > S+ 0 0 0 154,-0.3 4,-2.6 2,-0.2 5,-0.2 0.827 136.5 60.3 -59.2 -35.4 3.1 137.2 10.2 98 101 A Y H > S+ 0 0 79 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.947 106.3 44.6 -55.5 -52.6 0.9 134.9 8.1 99 102 A G H X S+ 0 0 17 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.837 111.7 53.5 -63.3 -37.7 0.5 132.4 11.0 100 103 A A H X S+ 0 0 0 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.936 110.2 46.9 -64.2 -45.7 -0.1 135.3 13.4 101 104 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.954 113.4 49.1 -58.6 -46.0 -2.9 136.7 11.2 102 105 A F H X S+ 0 0 67 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.921 109.8 50.9 -62.1 -45.8 -4.4 133.2 10.8 103 106 A T H X S+ 0 0 7 -4,-2.7 4,-1.3 2,-0.2 -1,-0.2 0.876 110.9 49.4 -58.3 -41.2 -4.3 132.6 14.5 104 107 A A H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 5,-0.3 0.937 112.9 45.7 -65.1 -48.9 -6.1 136.0 15.2 105 108 A F H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.907 113.2 49.3 -59.3 -43.9 -8.9 135.3 12.7 106 109 A Q H < S+ 0 0 68 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.767 113.7 47.9 -70.0 -26.2 -9.4 131.7 13.9 107 110 A A H < S+ 0 0 27 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.854 127.9 18.3 -78.4 -37.0 -9.6 132.9 17.5 108 111 A L H < S+ 0 0 21 -4,-1.8 2,-0.5 -5,-0.1 -2,-0.2 0.670 100.5 85.3-115.1 -27.7 -12.0 135.8 17.1 109 112 A V < + 0 0 10 -4,-2.5 2,-0.3 -5,-0.3 25,-0.1 -0.742 51.5 166.2 -95.7 127.8 -13.9 135.6 13.8 110 113 A D > - 0 0 108 -2,-0.5 3,-2.5 23,-0.1 23,-0.1 -0.814 46.9 -52.9-132.8 167.3 -17.1 133.5 13.7 111 114 A E T 3 S+ 0 0 151 1,-0.3 23,-0.2 -2,-0.3 22,-0.1 -0.152 124.2 8.2 -43.1 120.1 -20.2 132.9 11.5 112 115 A G T 3 S+ 0 0 27 21,-1.8 -1,-0.3 1,-0.3 22,-0.1 0.254 92.3 132.8 89.0 -14.7 -21.8 136.3 10.8 113 116 A D < - 0 0 32 -3,-2.5 22,-3.3 16,-0.1 2,-0.3 -0.474 50.4-134.8 -68.3 143.7 -19.1 138.5 12.2 114 117 A E E -cd 135 170B 17 55,-2.8 57,-2.9 20,-0.2 58,-1.3 -0.759 14.6-162.5 -98.3 144.5 -18.0 141.4 10.0 115 118 A V E -cd 136 172B 0 20,-2.0 22,-3.0 -2,-0.3 2,-0.5 -0.993 14.5-138.0-127.4 124.0 -14.4 142.3 9.5 116 119 A I E -cd 137 173B 0 56,-2.5 58,-2.9 -2,-0.4 2,-0.4 -0.707 21.8-171.2 -83.4 124.7 -13.4 145.7 8.1 117 120 A I E -cd 138 174B 0 20,-3.2 22,-2.1 -2,-0.5 2,-0.6 -0.957 15.4-139.7-119.1 134.6 -10.7 145.5 5.6 118 121 A I E -c 139 0B 9 56,-0.6 22,-0.2 -2,-0.4 58,-0.1 -0.860 35.0-102.2 -99.0 119.5 -8.9 148.6 4.2 119 122 A E E S+c 140 0B 0 20,-3.0 22,-2.6 -2,-0.6 261,-0.1 -0.665 106.3 45.7 -86.9 141.9 -8.2 148.5 0.4 120 123 A P S S+ 0 0 0 0, 0.0 2,-0.4 0, 0.0 62,-0.3 0.442 91.2 177.1 -75.1 139.4 -5.7 148.0 -0.9 121 124 A F - 0 0 2 258,-2.2 -2,-0.1 -2,-0.1 5,-0.1 -0.893 43.5 -97.9-116.3 140.8 -5.2 145.1 1.4 122 125 A F > - 0 0 9 -2,-0.4 3,-2.0 58,-0.2 4,-0.3 -0.362 52.0-120.1 -47.6 124.2 -2.6 142.3 1.8 123 126 A D T > S+ 0 0 20 1,-0.3 3,-0.9 2,-0.1 -1,-0.1 0.716 101.4 64.9 -63.1 -27.7 -4.6 139.7 -0.1 124 127 A C T 3> S+ 0 0 8 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.627 81.2 80.0 -68.1 -15.6 -5.0 137.0 2.6 125 128 A Y H <> S+ 0 0 3 -3,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.910 93.5 49.9 -61.0 -39.5 -7.2 139.2 4.9 126 129 A E H <> S+ 0 0 51 -3,-0.9 4,-2.2 -4,-0.3 -1,-0.2 0.970 114.1 39.3 -65.5 -57.7 -10.2 138.4 2.8 127 130 A P H > S+ 0 0 37 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.824 113.7 56.4 -64.0 -30.3 -10.0 134.6 2.5 128 131 A M H X S+ 0 0 26 -4,-2.2 4,-1.3 2,-0.2 6,-0.2 0.902 109.1 46.8 -65.0 -41.9 -8.9 134.3 6.2 129 132 A T H <>S+ 0 0 0 -4,-1.8 5,-2.4 -5,-0.3 -1,-0.2 0.925 114.8 47.7 -57.3 -49.5 -12.1 136.2 7.2 130 133 A M H ><5S+ 0 0 64 -4,-2.2 3,-1.9 1,-0.2 -2,-0.2 0.904 107.7 53.3 -61.8 -44.3 -14.1 133.9 4.9 131 134 A M H 3<5S+ 0 0 51 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.838 107.6 53.2 -63.0 -32.1 -12.6 130.7 6.1 132 135 A A T 3<5S- 0 0 14 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.376 122.4-108.5 -82.0 1.6 -13.5 131.8 9.7 133 136 A G T < 5S+ 0 0 21 -3,-1.9 -21,-1.8 1,-0.3 -3,-0.2 0.472 75.3 135.6 88.0 3.2 -17.1 132.3 8.6 134 137 A G < - 0 0 9 -5,-2.4 -1,-0.3 -23,-0.2 -20,-0.2 -0.296 55.8-121.3 -83.0 167.2 -16.9 136.1 8.7 135 138 A R E -c 114 0B 145 -22,-3.3 -20,-2.0 -3,-0.1 2,-0.1 -0.931 23.7-135.2-110.9 113.3 -18.1 138.7 6.3 136 139 A P E -c 115 0B 24 0, 0.0 2,-0.4 0, 0.0 -20,-0.2 -0.425 16.8-164.8 -65.9 136.7 -15.5 141.0 4.8 137 140 A V E -c 116 0B 16 -22,-3.0 -20,-3.2 -2,-0.1 2,-0.4 -0.999 13.0-149.1-125.0 125.2 -16.5 144.7 4.7 138 141 A F E +c 117 0B 33 -2,-0.4 2,-0.4 -22,-0.2 -20,-0.2 -0.761 19.3 179.4-107.5 139.4 -14.4 146.9 2.5 139 142 A V E -c 118 0B 2 -22,-2.1 -20,-3.0 -2,-0.4 2,-0.5 -0.992 23.4-135.5-131.9 138.1 -13.4 150.5 2.8 140 143 A S E -c 119 0B 9 -2,-0.4 18,-0.4 -22,-0.2 2,-0.3 -0.831 5.2-136.4-103.7 132.1 -11.1 152.2 0.2 141 144 A L - 0 0 0 -22,-2.6 16,-0.2 -2,-0.5 14,-0.1 -0.629 31.7-153.9 -67.4 138.0 -8.2 154.5 0.7 142 145 A K E -H 156 0C 92 14,-2.1 14,-3.1 -2,-0.3 2,-0.1 -0.982 12.5-121.3-128.6 124.7 -8.7 157.2 -2.0 143 146 A P E -H 155 0C 56 0, 0.0 12,-0.2 0, 0.0 9,-0.1 -0.394 30.3-129.2 -60.7 132.2 -6.0 159.3 -3.6 144 147 A G 0 0 37 10,-1.6 10,-0.1 1,-0.2 11,-0.0 -0.050 360.0 360.0 -67.7-177.7 -6.5 163.1 -3.1 145 148 A P 0 0 190 0, 0.0 -1,-0.2 0, 0.0 9,-0.0 -0.256 360.0 360.0 -64.2 360.0 -6.4 165.5 -6.0 146 ! 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,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 172.8 2.9 167.9 -9.7 148 153 A E + 0 0 115 2,-0.1 2,-0.3 1,-0.0 0, 0.0 0.677 360.0 82.2-116.4 -34.5 2.9 164.6 -11.5 149 154 A L S S- 0 0 67 1,-0.1 178,-0.2 178,-0.0 2,-0.1 -0.608 70.5-140.5 -78.3 132.7 4.2 162.1 -8.8 150 155 A G E -i 327 0D 29 176,-1.6 178,-2.3 -2,-0.3 2,-0.3 -0.258 7.4-140.6 -82.0 175.1 1.7 160.8 -6.3 151 156 A S E > -i 328 0D 26 176,-0.3 3,-1.5 1,-0.1 4,-0.2 -0.984 12.2-142.3-143.7 130.9 2.2 160.2 -2.6 152 157 A S G > S+ 0 0 0 176,-2.6 3,-1.6 -2,-0.3 32,-0.1 0.801 103.0 63.7 -59.5 -33.5 1.0 157.4 -0.4 153 158 A S G 3 S+ 0 0 41 175,-0.4 -1,-0.3 1,-0.3 34,-0.1 0.790 96.6 60.2 -60.8 -26.3 0.4 159.8 2.5 154 159 A N G < S+ 0 0 97 -3,-1.5 -10,-1.6 2,-0.1 2,-0.7 0.451 75.8 102.7 -87.3 2.6 -2.2 161.5 0.3 155 160 A W E < -H 143 0C 4 -3,-1.6 2,-0.3 -12,-0.2 -14,-0.1 -0.782 69.4-147.6 -84.0 118.7 -4.3 158.3 -0.0 156 161 A Q E -H 142 0C 97 -14,-3.1 -14,-2.1 -2,-0.7 2,-0.8 -0.651 23.2-146.8-104.3 143.8 -7.1 159.2 2.4 157 162 A L - 0 0 7 -2,-0.3 -16,-0.1 -16,-0.2 -2,-0.0 -0.893 31.5-135.5-100.3 99.9 -9.4 157.2 4.7 158 163 A D > - 0 0 64 -2,-0.8 4,-2.9 -18,-0.4 5,-0.2 -0.418 5.6-147.2 -59.2 117.6 -12.7 159.2 4.6 159 164 A P H > S+ 0 0 78 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.851 97.7 46.6 -55.3 -39.8 -13.9 159.5 8.2 160 165 A M H > S+ 0 0 157 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.907 113.0 47.8 -71.3 -45.6 -17.6 159.4 7.2 161 166 A E H > S+ 0 0 67 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.943 114.9 47.1 -57.8 -49.2 -17.1 156.4 4.8 162 167 A L H >X S+ 0 0 0 -4,-2.9 3,-1.6 1,-0.2 4,-0.6 0.933 109.8 51.2 -58.8 -50.1 -15.2 154.5 7.6 163 168 A A H >< S+ 0 0 40 -4,-2.3 3,-1.1 1,-0.3 -1,-0.2 0.884 105.5 58.5 -57.2 -38.4 -17.7 155.2 10.4 164 169 A G H 3< S+ 0 0 61 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.652 95.0 63.4 -66.9 -16.8 -20.5 154.0 8.1 165 170 A K H << S+ 0 0 72 -3,-1.6 2,-0.3 -4,-0.6 -1,-0.2 0.714 83.2 96.7 -78.5 -22.4 -18.9 150.5 7.8 166 171 A F << + 0 0 15 -3,-1.1 2,-0.2 -4,-0.6 32,-0.0 -0.537 49.1 159.0 -73.5 127.2 -19.2 149.9 11.5 167 172 A T > - 0 0 56 -2,-0.3 3,-1.1 -53,-0.1 -53,-0.1 -0.764 59.2 -90.6-131.4-178.6 -22.3 147.9 12.6 168 173 A S T 3 S+ 0 0 127 1,-0.2 -2,-0.0 -2,-0.2 -54,-0.0 0.660 126.2 57.9 -67.7 -15.9 -23.4 145.8 15.6 169 174 A R T 3 S+ 0 0 152 -56,-0.1 -55,-2.8 -54,-0.0 2,-0.3 0.548 75.0 119.5 -90.5 -9.2 -21.8 142.8 13.7 170 175 A T E < +d 114 0B 11 -3,-1.1 -55,-0.2 -57,-0.2 3,-0.1 -0.417 28.2 165.6 -60.4 116.8 -18.3 144.4 13.4 171 176 A K E - 0 0 70 -57,-2.9 33,-2.1 1,-0.3 2,-0.3 0.795 61.4 -0.1 -95.4 -42.3 -15.9 142.0 15.2 172 177 A A E -de 115 204B 0 -58,-1.3 -56,-2.5 31,-0.2 2,-0.4 -0.967 49.7-146.8-148.4 154.2 -12.5 143.4 14.0 173 178 A L E -de 116 205B 0 31,-2.1 33,-2.7 -2,-0.3 2,-0.7 -0.994 22.8-140.3-120.2 137.0 -10.9 145.9 11.8 174 179 A V E -de 117 206B 2 -58,-2.9 -56,-0.6 -2,-0.4 2,-0.5 -0.870 18.8-171.7-101.5 115.6 -7.6 145.0 10.1 175 180 A L E - e 0 207B 0 31,-2.8 33,-3.2 -2,-0.7 2,-0.6 -0.917 3.8-171.3-109.3 122.8 -5.1 147.7 10.0 176 181 A N E - e 0 208B 6 -2,-0.5 33,-0.2 31,-0.2 3,-0.1 -0.940 12.6-164.0-115.9 111.3 -1.9 147.3 8.0 177 182 A T S S+ 0 0 1 31,-1.7 35,-0.2 -2,-0.6 2,-0.2 -0.963 80.3 30.6-149.0 132.5 0.8 149.9 8.5 178 183 A P S S- 0 0 0 0, 0.0 33,-0.4 0, 0.0 -1,-0.3 0.593 110.0-130.3 -58.5 147.5 3.1 150.5 6.8 179 184 A N > - 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0 0 0 -2,-0.5 -342,-0.2 -344,-0.1 21,-0.2 -0.852 41.0-107.1-132.6 179.8 5.4 143.6 -11.3 374 379 A I E -L 393 0D 11 19,-2.4 19,-3.4 -2,-0.3 2,-0.2 -0.934 28.5-119.3-112.1 128.6 2.2 142.6 -9.4 375 380 A P E > -L 392 0D 1 0, 0.0 3,-1.1 0, 0.0 17,-0.2 -0.480 18.5-144.7 -64.1 129.9 -1.2 143.8 -10.6 376 381 A V G > S+ 0 0 0 15,-2.4 3,-2.5 1,-0.2 16,-0.1 0.712 88.3 80.1 -74.3 -19.4 -2.7 145.9 -7.8 377 382 A S G > S+ 0 0 0 14,-0.4 3,-1.5 1,-0.3 -1,-0.2 0.729 78.8 70.6 -61.5 -21.2 -6.3 144.6 -8.4 378 383 A I G < S+ 0 0 12 -3,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.709 94.1 56.9 -67.3 -16.5 -5.4 141.4 -6.5 379 384 A F G < S+ 0 0 0 -3,-2.5 -258,-2.2 -4,-0.1 2,-0.3 0.120 99.9 77.8 -97.4 18.9 -5.4 143.7 -3.4 380 385 A Y S < S- 0 0 1 -3,-1.5 5,-0.1 -260,-0.2 2,-0.1 -0.917 89.5-100.7-126.9 150.7 -9.0 144.8 -4.0 381 386 A S >> - 0 0 3 -2,-0.3 3,-1.5 1,-0.1 4,-0.9 -0.414 44.1-108.7 -61.6 147.9 -12.4 143.2 -3.5 382 387 A V H >> S+ 0 0 102 1,-0.3 3,-1.6 2,-0.2 4,-0.5 0.911 118.1 54.9 -49.6 -52.2 -13.7 141.8 -6.8 383 388 A P H 34 S+ 0 0 97 0, 0.0 4,-0.3 0, 0.0 3,-0.3 0.751 111.2 45.6 -51.0 -29.7 -16.4 144.6 -7.1 384 389 A H H <> S+ 0 0 65 -3,-1.5 4,-2.4 1,-0.2 -2,-0.2 0.517 88.4 85.9 -96.3 -6.8 -13.8 147.3 -6.8 385 390 A Q H << S+ 0 0 25 -3,-1.6 -1,-0.2 -4,-0.9 -3,-0.1 0.794 82.2 61.7 -65.1 -30.4 -11.3 145.8 -9.2 386 391 A K T < S+ 0 0 149 -4,-0.5 3,-0.5 -3,-0.3 -1,-0.2 0.967 112.6 36.0 -57.2 -54.0 -13.0 147.5 -12.2 387 392 A H T 4 S+ 0 0 137 -4,-0.3 2,-1.0 1,-0.2 3,-0.2 0.889 119.5 48.8 -68.6 -43.0 -12.3 150.9 -10.8 388 393 A F S < S+ 0 0 12 -4,-2.4 -1,-0.2 1,-0.2 3,-0.2 -0.518 76.1 115.9 -98.2 64.4 -8.9 150.1 -9.3 389 394 A D + 0 0 15 -2,-1.0 -31,-1.3 -3,-0.5 -1,-0.2 0.255 55.9 73.0-114.7 10.2 -7.5 148.4 -12.5 390 395 A H S S+ 0 0 36 -3,-0.2 -51,-2.8 -33,-0.1 -50,-0.4 -0.081 75.4 86.7-124.4 33.1 -4.6 150.8 -13.3 391 396 A Y E -K 338 0D 11 -53,-0.2 -15,-2.4 -3,-0.2 -14,-0.4 -0.985 46.8-170.4-130.7 146.6 -1.9 150.2 -10.7 392 397 A I E -KL 337 375D 0 -55,-1.7 -55,-2.5 -2,-0.4 2,-0.5 -0.974 19.0-130.3-132.0 150.0 1.0 147.8 -10.5 393 398 A R E -KL 336 374D 6 -19,-3.4 -19,-2.4 -2,-0.3 2,-0.3 -0.851 19.4-172.1-107.9 131.0 3.3 147.1 -7.6 394 399 A F E -K 335 0D 0 -59,-3.2 -59,-2.2 -2,-0.5 2,-0.5 -0.881 17.5-138.5-113.2 151.4 7.1 147.0 -7.7 395 400 A C E -K 334 0D 0 -365,-1.9 -61,-0.2 -2,-0.3 -363,-0.1 -0.954 16.0-178.3-108.6 124.5 9.5 145.9 -5.0 396 401 A F + 0 0 0 -63,-2.0 2,-2.0 -2,-0.5 -62,-0.1 0.467 54.3 104.9 -99.8 -3.8 12.6 148.1 -4.6 397 402 A V + 0 0 0 -64,-0.7 -361,-0.4 -367,-0.1 2,-0.3 -0.545 60.9 123.7 -79.5 80.0 14.3 146.0 -1.9 398 403 A K - 0 0 3 -2,-2.0 -368,-0.0 -363,-0.2 5,-0.0 -0.934 67.7 -86.6-141.8 156.0 16.8 144.6 -4.3 399 404 A D >> - 0 0 65 -2,-0.3 4,-1.7 1,-0.1 3,-0.8 -0.293 42.3-112.9 -59.0 147.7 20.5 144.2 -4.9 400 405 A E H 3> S+ 0 0 151 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.868 118.8 55.6 -48.8 -43.9 22.3 147.1 -6.8 401 406 A A H 3> S+ 0 0 54 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.806 103.4 54.5 -62.7 -33.2 22.9 144.7 -9.7 402 407 A T H <> S+ 0 0 27 -3,-0.8 4,-2.3 2,-0.2 -1,-0.2 0.902 109.1 47.1 -66.2 -43.2 19.1 143.9 -9.9 403 408 A L H X S+ 0 0 2 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.847 110.2 53.5 -68.5 -33.7 18.3 147.7 -10.2 404 409 A Q H X S+ 0 0 117 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.932 109.8 47.8 -61.8 -44.4 21.1 148.0 -12.9 405 410 A A H X S+ 0 0 43 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.878 109.5 53.5 -64.2 -38.9 19.5 145.1 -14.8 406 411 A M H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.927 106.7 52.3 -57.2 -48.0 16.1 146.9 -14.4 407 412 A D H X S+ 0 0 24 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.894 106.8 52.8 -58.4 -41.7 17.6 150.1 -15.9 408 413 A E H X S+ 0 0 109 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.939 109.8 47.9 -59.2 -47.0 18.9 148.1 -18.9 409 414 A K H X S+ 0 0 46 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.891 113.4 48.7 -58.5 -41.1 15.4 146.7 -19.5 410 415 A L H X S+ 0 0 8 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.853 108.9 51.4 -71.1 -37.0 13.9 150.3 -19.2 411 416 A R H X S+ 0 0 141 -4,-2.7 4,-1.4 2,-0.2 -2,-0.2 0.916 111.0 48.7 -64.1 -43.9 16.5 151.8 -21.5 412 417 A K H < S+ 0 0 158 -4,-2.2 3,-0.4 1,-0.2 -2,-0.2 0.926 111.7 49.9 -58.8 -47.4 15.7 149.2 -24.2 413 418 A W H < S+ 0 0 17 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.898 102.2 62.0 -55.0 -46.1 11.9 149.9 -23.6 414 419 A K H < S+ 0 0 136 -4,-2.3 2,-1.2 -5,-0.1 -1,-0.2 0.839 80.8 87.2 -54.8 -40.5 12.5 153.6 -24.0 415 420 A V < 0 0 121 -4,-1.4 -1,-0.1 -3,-0.4 -4,-0.0 -0.518 360.0 360.0 -59.3 94.2 13.7 153.0 -27.6 416 421 A E 0 0 222 -2,-1.2 -3,-0.0 0, 0.0 -4,-0.0 -0.559 360.0 360.0 63.1 360.0 10.2 153.2 -29.1