==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 21-DEC-09 2X16 . COMPND 2 MOLECULE: TRIOSEPHOSPHATE ISOMERASE, GLYCOSOMAL; . SOURCE 2 ORGANISM_SCIENTIFIC: TRYPANOSOMA BRUCEI BRUCEI; . AUTHOR M.SALIN,E.G.KAPETANIOU,M.VAISMAA,M.LAJUNEN,M.G.CASTELEIJN, . 461 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19404.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 347 75.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 74 16.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 41 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 161 34.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.2 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 5 3 3 1 1 3 0 0 2 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 4 6 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 0 PARALLEL BRIDGES PER LADDER . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 2 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 2 A S 0 0 170 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 164.6 11.4 8.9 20.3 2 3 A K - 0 0 65 1,-0.1 182,-0.1 205,-0.0 184,-0.1 -0.556 360.0-112.5 -78.9 145.1 12.4 7.1 17.1 3 4 A P - 0 0 21 0, 0.0 -1,-0.1 0, 0.0 181,-0.1 -0.171 60.9 -60.8 -62.7 169.1 10.8 3.8 16.1 4 5 A Q - 0 0 35 180,-0.1 25,-0.1 1,-0.1 204,-0.0 -0.350 66.4-123.2 -53.0 127.1 13.0 0.7 16.2 5 6 A P - 0 0 11 0, 0.0 25,-2.2 0, 0.0 2,-0.4 -0.288 17.9-144.5 -73.2 158.5 15.8 1.4 13.7 6 7 A I E -ab 30 209A 0 202,-2.3 204,-1.6 23,-0.2 2,-0.5 -0.991 10.9-169.7-124.0 132.0 16.6 -0.9 10.7 7 8 A A E +ab 31 210A 0 23,-2.2 25,-2.4 -2,-0.4 2,-0.4 -0.988 20.6 176.9-113.9 118.3 20.1 -1.6 9.3 8 9 A A E -ab 32 211A 0 202,-2.5 204,-3.3 -2,-0.5 2,-0.4 -0.977 18.9-158.1-128.7 137.4 19.7 -3.4 6.0 9 10 A A E ab 33 212A 0 23,-3.1 25,-3.3 -2,-0.4 204,-0.3 -0.945 360.0 360.0-116.5 134.8 22.4 -4.6 3.5 10 11 A N 0 0 49 202,-2.6 204,-1.3 -2,-0.4 25,-0.1 -0.692 360.0 360.0-107.8 360.0 21.4 -5.2 -0.1 11 ! 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 12 20 A S > 0 0 127 0, 0.0 4,-1.2 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -58.2 33.8 -13.6 0.5 13 21 A L H > + 0 0 40 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.919 360.0 53.2 -68.1 -44.7 30.1 -13.8 1.4 14 22 A S H > S+ 0 0 43 1,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.794 107.6 51.8 -61.0 -29.9 30.8 -16.6 3.9 15 23 A E H > S+ 0 0 127 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.849 108.4 52.3 -72.3 -34.2 33.5 -14.4 5.5 16 24 A L H X S+ 0 0 11 -4,-1.2 4,-2.5 2,-0.2 -2,-0.2 0.890 109.6 47.1 -69.5 -42.3 30.9 -11.6 5.8 17 25 A I H X S+ 0 0 3 -4,-2.2 4,-2.9 2,-0.2 31,-0.2 0.841 108.4 55.0 -68.9 -37.2 28.4 -13.8 7.6 18 26 A D H X S+ 0 0 77 -4,-1.5 4,-1.4 -5,-0.2 -1,-0.2 0.937 110.6 48.3 -56.7 -46.8 31.0 -15.2 10.0 19 27 A L H >X S+ 0 0 64 -4,-1.8 3,-0.6 2,-0.2 4,-0.6 0.949 111.8 46.8 -59.6 -52.3 31.7 -11.6 10.8 20 28 A F H >< S+ 0 0 2 -4,-2.5 3,-1.2 1,-0.2 -1,-0.2 0.915 109.6 56.0 -57.1 -43.5 28.0 -10.7 11.3 21 29 A N H 3< S+ 0 0 24 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.797 108.8 46.0 -57.8 -32.7 27.6 -13.8 13.5 22 30 A S H << S+ 0 0 82 -4,-1.4 2,-0.4 -3,-0.6 -1,-0.2 0.459 88.9 109.5 -94.2 -2.2 30.4 -12.8 15.9 23 31 A T << - 0 0 11 -3,-1.2 2,-0.5 -4,-0.6 -3,-0.0 -0.616 61.0-143.9 -80.3 124.6 29.2 -9.2 16.2 24 32 A S - 0 0 60 -2,-0.4 2,-0.6 260,-0.0 258,-0.1 -0.768 12.9-163.4 -83.2 128.5 27.7 -8.1 19.6 25 33 A I - 0 0 15 -2,-0.5 4,-0.1 258,-0.2 -2,-0.0 -0.941 2.8-167.6-119.9 107.7 25.0 -5.6 19.0 26 34 A N + 0 0 126 -2,-0.6 2,-0.2 200,-0.1 -1,-0.1 0.599 59.7 46.5 -71.6 -20.1 24.2 -3.8 22.2 27 35 A H S S- 0 0 26 279,-0.0 2,-0.7 259,-0.0 199,-0.1 -0.648 94.6 -75.4-125.7 175.1 20.9 -2.0 21.3 28 36 A D + 0 0 28 -2,-0.2 2,-0.3 197,-0.0 -2,-0.1 -0.622 65.4 138.5 -75.8 116.0 17.6 -2.6 19.7 29 37 A V - 0 0 2 -2,-0.7 2,-0.6 -25,-0.1 -23,-0.2 -0.852 47.5-135.1-160.1 120.1 18.0 -2.7 15.9 30 38 A Q E -a 6 0A 41 -25,-2.2 -23,-2.2 -2,-0.3 2,-0.3 -0.674 27.7-158.9 -74.7 116.4 16.4 -4.9 13.2 31 39 A C E -ac 7 52A 0 20,-2.9 22,-1.8 -2,-0.6 2,-0.4 -0.790 6.7-166.2 -99.4 146.8 19.2 -6.1 10.9 32 40 A V E -ac 8 53A 0 -25,-2.4 -23,-3.1 -2,-0.3 2,-0.7 -0.991 14.6-166.6-137.7 124.9 18.4 -7.3 7.4 33 41 A V E -ac 9 54A 3 20,-2.2 22,-2.0 -2,-0.4 2,-0.5 -0.925 16.4-164.9-109.3 105.1 20.6 -9.1 4.9 34 42 A A E + c 0 55A 2 -25,-3.3 2,-0.3 -2,-0.7 22,-0.2 -0.782 14.2 177.8 -92.9 128.9 18.9 -9.0 1.5 35 43 A S - 0 0 8 20,-2.1 22,-0.3 -2,-0.5 5,-0.1 -0.891 31.4 -99.5-131.9 162.1 20.2 -11.4 -1.0 36 44 A T >> - 0 0 67 -2,-0.3 3,-1.1 20,-0.1 4,-0.5 -0.297 47.6 -98.9 -70.9 161.1 19.6 -12.6 -4.6 37 45 A F G >4 S+ 0 0 163 1,-0.2 3,-1.7 2,-0.2 4,-0.5 0.901 117.9 51.4 -49.8 -51.6 17.6 -15.8 -5.2 38 46 A V G 34 S+ 0 0 122 1,-0.3 4,-0.3 2,-0.1 -1,-0.2 0.676 112.3 45.8 -69.7 -16.6 20.6 -18.2 -5.7 39 47 A H G <> S+ 0 0 93 -3,-1.1 4,-2.2 1,-0.1 -1,-0.3 0.398 88.5 94.0-100.5 1.2 22.4 -17.1 -2.6 40 48 A L H S+ 0 0 58 -4,-0.5 4,-2.1 1,-0.2 -1,-0.2 0.913 114.6 47.2 -58.3 -45.6 19.6 -20.9 1.0 42 50 A M H > S+ 0 0 53 -4,-0.3 4,-2.3 2,-0.2 5,-0.2 0.930 112.5 48.8 -61.7 -48.0 23.3 -20.4 1.9 43 51 A T H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.898 113.3 48.3 -59.8 -41.1 22.7 -17.1 3.6 44 52 A K H < S+ 0 0 69 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.818 112.8 47.2 -69.6 -32.9 19.9 -18.6 5.6 45 53 A E H < S+ 0 0 137 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.870 121.4 37.0 -72.8 -34.3 21.9 -21.6 6.6 46 54 A R H < S+ 0 0 62 -4,-2.3 2,-0.6 -5,-0.2 -2,-0.2 0.815 97.5 78.7 -94.7 -34.8 24.9 -19.5 7.6 47 55 A L < + 0 0 8 -4,-2.8 214,-0.2 -5,-0.2 7,-0.1 -0.677 44.4 154.2 -83.0 118.8 23.4 -16.4 9.2 48 56 A S + 0 0 3 -2,-0.6 214,-0.6 -31,-0.2 -1,-0.1 0.327 22.8 125.6-129.1 4.0 22.3 -17.1 12.7 49 57 A H > - 0 0 1 1,-0.2 3,-2.2 212,-0.1 235,-0.1 -0.594 55.5-145.4 -68.3 118.4 22.5 -13.8 14.5 50 58 A P T 3 S+ 0 0 7 0, 0.0 -1,-0.2 0, 0.0 213,-0.1 0.591 95.7 65.7 -69.4 -10.4 18.9 -13.5 15.9 51 59 A K T 3 S+ 0 0 20 232,-0.2 -20,-2.9 -21,-0.1 2,-0.3 0.377 96.2 76.3 -86.4 5.1 18.9 -9.8 15.4 52 60 A F E < -c 31 0A 3 -3,-2.2 2,-0.3 -22,-0.2 -20,-0.2 -0.863 58.6-170.7-114.5 147.8 19.1 -10.4 11.7 53 61 A V E -c 32 0A 36 -22,-1.8 -20,-2.2 -2,-0.3 2,-0.3 -0.970 24.7-120.5-130.9 150.7 16.5 -11.5 9.2 54 62 A I E -c 33 0A 18 -2,-0.3 21,-0.9 18,-0.2 20,-0.6 -0.703 27.3-161.7 -87.7 139.3 17.0 -12.6 5.6 55 63 A A E -cd 34 75A 0 -22,-2.0 -20,-2.1 -2,-0.3 21,-0.3 -0.924 9.5-141.0-116.8 148.3 15.2 -10.7 2.9 56 64 A A E - d 0 76A 5 19,-2.4 21,-2.0 -2,-0.4 2,-0.4 -0.455 22.1-130.8 -87.2 175.3 14.4 -11.6 -0.7 57 65 A Q E - d 0 77A 41 -22,-0.3 21,-0.2 19,-0.2 -20,-0.2 -0.998 64.0 -20.4-132.2 131.5 14.7 -9.1 -3.5 58 66 A N S S+ 0 0 19 19,-2.5 20,-0.1 -2,-0.4 18,-0.0 0.310 74.1 154.1 69.9 -9.2 12.3 -8.1 -6.4 59 67 A A + 0 0 22 18,-0.1 -1,-0.2 1,-0.1 42,-0.1 -0.285 9.0 167.2 -50.2 135.8 10.2 -11.2 -6.4 60 68 A G + 0 0 39 40,-0.1 2,-0.5 41,-0.0 -1,-0.1 0.297 36.0 102.6-138.9 6.4 6.8 -10.3 -7.7 61 69 A N > - 0 0 90 1,-0.1 4,-3.0 39,-0.0 5,-0.3 -0.828 67.2-134.6-102.7 131.2 5.0 -13.5 -8.5 62 70 A A H > S+ 0 0 68 -2,-0.5 4,-2.4 1,-0.2 -1,-0.1 0.878 108.1 44.3 -46.0 -49.2 2.3 -14.9 -6.1 63 71 A D H > S+ 0 0 121 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.901 113.0 51.3 -68.1 -41.5 3.7 -18.4 -6.2 64 72 A A H > S+ 0 0 39 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.949 112.3 45.9 -57.2 -52.6 7.3 -17.2 -5.8 65 80 A L H X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.2 5,-0.2 0.931 110.8 54.9 -55.3 -46.9 6.4 -15.1 -2.7 66 81 A A H X S+ 0 0 49 -4,-2.4 4,-2.3 -5,-0.3 -1,-0.2 0.901 110.3 45.1 -53.2 -43.5 4.4 -18.0 -1.4 67 82 A S H X S+ 0 0 72 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.867 110.9 52.0 -73.5 -37.8 7.5 -20.3 -1.6 68 83 A L H <>S+ 0 0 11 -4,-2.3 5,-3.0 2,-0.2 4,-0.3 0.919 112.0 46.9 -59.5 -45.0 9.8 -17.8 -0.1 69 84 A K H ><5S+ 0 0 47 -4,-2.5 3,-1.7 1,-0.2 -2,-0.2 0.942 112.8 49.3 -63.6 -45.7 7.5 -17.3 2.8 70 85 A D H 3<5S+ 0 0 122 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.853 107.1 55.8 -58.5 -37.8 7.2 -21.1 3.1 71 86 A F T 3<5S- 0 0 94 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.514 128.2-101.6 -74.9 -5.2 11.0 -21.3 3.0 72 87 A G T < 5S+ 0 0 17 -3,-1.7 2,-0.6 1,-0.3 -18,-0.2 0.671 77.1 138.2 91.7 17.5 11.0 -18.9 6.0 73 88 A V < + 0 0 0 -5,-3.0 -1,-0.3 -6,-0.1 -2,-0.1 -0.882 17.7 167.7 -93.0 117.7 11.8 -15.6 4.3 74 89 A N + 0 0 57 -2,-0.6 33,-2.9 -20,-0.6 2,-0.3 0.421 54.9 64.3-110.9 -3.7 9.6 -12.9 5.8 75 90 A W E +de 55 107A 17 -21,-0.9 -19,-2.4 31,-0.2 2,-0.3 -0.892 54.4 178.2-120.6 153.2 11.2 -9.8 4.4 76 91 A I E -de 56 108A 0 31,-1.9 33,-2.6 -2,-0.3 2,-0.4 -0.989 20.7-140.3-150.8 147.5 11.6 -8.5 0.8 77 92 A V E +de 57 109A 1 -21,-2.0 -19,-2.5 -2,-0.3 2,-0.3 -0.939 28.1 179.7-109.8 134.7 13.2 -5.4 -0.7 78 93 A L E + e 0 110A 0 31,-2.5 33,-2.9 -2,-0.4 16,-0.1 -0.953 51.6 21.8-136.2 149.8 11.3 -3.8 -3.7 79 94 A G + 0 0 0 -2,-0.3 5,-0.2 31,-0.2 -1,-0.1 0.562 68.8 173.8 75.2 8.4 11.7 -0.9 -6.0 80 95 A H >> - 0 0 30 1,-0.1 3,-1.8 3,-0.1 4,-0.9 -0.128 47.7 -95.5 -47.3 150.2 15.5 -0.5 -5.5 81 96 A S H >> S+ 0 0 18 1,-0.3 4,-2.5 2,-0.2 3,-0.9 0.781 121.1 48.6 -45.7 -52.6 16.9 2.2 -7.9 82 97 A E H 3>>S+ 0 0 46 1,-0.3 5,-2.0 2,-0.2 4,-1.9 0.777 102.3 65.8 -66.0 -23.8 18.1 0.0 -10.8 83 98 A R H <45S+ 0 0 50 -3,-1.8 6,-2.6 3,-0.2 5,-0.4 0.897 113.0 33.3 -58.1 -41.5 14.8 -1.8 -10.8 84 99 A R H <<5S+ 0 0 36 -4,-0.9 4,-0.4 -3,-0.9 -2,-0.2 0.945 125.9 37.4 -81.1 -54.0 13.2 1.5 -11.9 85 100 A W H <5S+ 0 0 160 -4,-2.5 -3,-0.2 2,-0.1 -2,-0.2 0.612 133.6 20.4 -80.3 -13.0 15.9 3.2 -14.0 86 101 A Y T <5S+ 0 0 162 -4,-1.9 -3,-0.2 -5,-0.3 -2,-0.1 0.743 127.6 38.9-118.1 -55.9 17.2 -0.0 -15.7 87 102 A Y S - 0 0 67 -2,-0.6 4,-2.4 1,-0.1 5,-0.3 -0.211 28.9 -95.8 -78.2 173.6 7.2 1.7 -13.1 91 106 A N H > S+ 0 0 38 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.880 129.1 46.5 -50.6 -41.1 5.7 3.4 -10.0 92 107 A E H > S+ 0 0 97 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.853 107.7 53.6 -77.2 -39.4 2.7 1.1 -10.4 93 108 A I H > S+ 0 0 76 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.948 113.2 44.2 -57.5 -48.5 4.7 -2.2 -11.0 94 109 A V H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.929 111.6 54.7 -63.0 -43.2 6.6 -1.5 -7.7 95 110 A A H X S+ 0 0 0 -4,-2.0 4,-2.6 -5,-0.3 -2,-0.2 0.933 109.7 46.1 -53.6 -48.5 3.3 -0.6 -6.0 96 111 A D H X S+ 0 0 77 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.868 110.7 52.4 -66.1 -36.8 1.8 -3.9 -7.1 97 112 A K H X S+ 0 0 37 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.973 110.7 48.5 -62.4 -48.5 4.8 -5.9 -6.0 98 113 A V H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.916 112.8 47.2 -54.2 -49.2 4.6 -4.2 -2.5 99 114 A A H X S+ 0 0 24 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.923 112.0 50.9 -61.0 -45.2 0.9 -4.9 -2.2 100 115 A A H X S+ 0 0 34 -4,-2.7 4,-1.4 1,-0.2 -2,-0.2 0.928 111.2 47.9 -56.2 -49.0 1.4 -8.5 -3.3 101 116 A A H <>S+ 0 0 0 -4,-2.8 5,-2.7 2,-0.2 -1,-0.2 0.906 111.4 49.6 -60.7 -43.4 4.2 -9.1 -0.7 102 117 A V H ><5S+ 0 0 15 -4,-2.4 3,-1.8 1,-0.2 -1,-0.2 0.933 109.0 52.7 -63.4 -43.9 2.2 -7.5 2.1 103 118 A A H 3<5S+ 0 0 90 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.792 107.8 53.2 -60.1 -29.0 -0.8 -9.7 1.2 104 119 A S T 3<5S- 0 0 43 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.309 127.3 -96.4 -92.7 8.1 1.5 -12.7 1.4 105 120 A G T < 5S+ 0 0 16 -3,-1.8 -3,-0.2 1,-0.3 2,-0.2 0.651 75.2 143.1 93.3 16.4 2.8 -11.9 4.9 106 121 A F < - 0 0 0 -5,-2.7 2,-0.6 -6,-0.1 -1,-0.3 -0.520 51.1-132.7 -86.9 153.3 6.0 -10.0 4.1 107 122 A M E -e 75 0A 33 -33,-2.9 -31,-1.9 -2,-0.2 2,-0.5 -0.953 36.1-148.3 -92.9 125.7 7.6 -7.1 5.7 108 123 A V E -ef 76 147A 0 38,-2.8 40,-2.6 -2,-0.6 2,-1.0 -0.850 22.2-161.1-109.5 122.8 8.5 -4.8 2.8 109 124 A I E -ef 77 148A 0 -33,-2.6 -31,-2.5 -2,-0.5 2,-0.6 -0.850 25.0-164.6 -90.1 100.2 11.4 -2.4 2.4 110 125 A A E -ef 78 149A 0 38,-3.2 40,-2.6 -2,-1.0 2,-0.3 -0.803 5.0-147.3 -94.0 122.9 10.0 -0.2 -0.4 111 126 A C E + f 0 150A 0 -33,-2.9 2,-0.3 -2,-0.6 40,-0.2 -0.681 22.2 167.2 -95.7 142.1 12.5 1.9 -2.2 112 127 A I E + f 0 151A 1 38,-2.4 40,-3.0 -2,-0.3 2,-0.2 -0.925 10.7 137.4-143.1 163.5 12.0 5.4 -3.7 113 128 A G - 0 0 6 -2,-0.3 2,-0.3 38,-0.2 38,-0.0 -0.812 39.3-108.6 160.1 154.2 14.3 8.0 -4.9 114 129 A E - 0 0 0 -2,-0.2 41,-1.7 38,-0.2 40,-0.4 -0.719 27.9-118.8-109.5 156.0 15.1 10.6 -7.6 115 130 A T > - 0 0 40 -2,-0.3 4,-3.1 39,-0.2 40,-0.2 -0.319 34.8-100.0 -82.2 170.2 17.7 10.7 -10.3 116 131 A L H > S+ 0 0 68 2,-0.2 4,-3.3 1,-0.2 5,-0.3 0.928 125.0 50.3 -52.4 -50.0 20.4 13.3 -10.8 117 132 A Q H > S+ 0 0 121 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.870 112.9 47.8 -60.8 -37.2 18.4 15.1 -13.5 118 133 A E H 4>S+ 0 0 47 2,-0.2 5,-2.4 1,-0.2 6,-0.3 0.909 114.6 44.1 -70.2 -44.4 15.4 15.0 -11.2 119 134 A R H ><5S+ 0 0 36 -4,-3.1 3,-1.8 4,-0.2 5,-0.3 0.935 112.0 53.0 -64.2 -46.4 17.4 16.3 -8.2 120 135 A E H 3<5S+ 0 0 138 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.860 108.3 50.5 -57.9 -37.3 19.2 19.0 -10.2 121 136 A S T 3<5S- 0 0 73 -4,-1.4 -1,-0.3 -5,-0.3 -2,-0.2 0.320 116.6-113.1 -87.6 8.9 15.9 20.4 -11.6 122 137 A G T < 5S+ 0 0 65 -3,-1.8 3,-0.2 1,-0.1 4,-0.2 0.764 82.4 123.3 68.5 26.0 14.4 20.6 -8.1 123 138 A R >< + 0 0 117 -5,-2.4 4,-2.4 -6,-0.2 5,-0.3 0.143 29.3 113.1-103.1 19.5 11.8 17.9 -8.8 124 139 A T H > S+ 0 0 15 -6,-0.3 4,-3.3 -5,-0.3 5,-0.3 0.958 79.0 46.2 -52.3 -55.0 12.9 15.7 -5.9 125 140 A A H > S+ 0 0 44 -3,-0.2 4,-2.4 1,-0.2 5,-0.4 0.919 112.9 46.4 -58.5 -51.4 9.6 16.2 -4.1 126 141 A V H > S+ 0 0 74 -4,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.924 119.0 43.4 -60.6 -41.5 7.2 15.7 -7.0 127 142 A V H X S+ 0 0 11 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.962 116.4 43.5 -66.0 -56.7 9.1 12.6 -8.1 128 143 A V H X S+ 0 0 0 -4,-3.3 4,-1.9 -5,-0.3 5,-0.2 0.918 116.2 47.4 -59.3 -44.4 9.6 11.0 -4.7 129 144 A L H X S+ 0 0 38 -4,-2.4 4,-2.8 -5,-0.3 -1,-0.2 0.863 109.3 53.7 -69.6 -34.7 6.0 11.7 -3.5 130 145 A T H X S+ 0 0 70 -4,-1.6 4,-1.8 -5,-0.4 -1,-0.2 0.887 107.9 52.2 -64.8 -35.3 4.6 10.4 -6.7 131 146 A Q H X S+ 0 0 15 -4,-2.0 4,-1.4 2,-0.2 -2,-0.2 0.927 115.0 39.2 -66.3 -45.1 6.5 7.1 -6.2 132 147 A I H X S+ 0 0 0 -4,-1.9 4,-3.5 2,-0.2 5,-0.2 0.860 110.1 60.5 -74.6 -34.3 5.2 6.6 -2.7 133 148 A A H X S+ 0 0 37 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.914 105.0 49.7 -55.6 -42.3 1.7 7.8 -3.6 134 149 A A H X S+ 0 0 12 -4,-1.8 4,-0.7 2,-0.2 -1,-0.2 0.920 111.6 48.4 -62.4 -43.8 1.6 5.0 -6.1 135 150 A I H >< S+ 0 0 0 -4,-1.4 3,-1.3 1,-0.2 4,-0.3 0.952 110.5 51.1 -59.8 -49.0 2.7 2.6 -3.4 136 151 A A H >< S+ 0 0 15 -4,-3.5 3,-1.7 1,-0.3 -1,-0.2 0.832 97.8 68.4 -58.4 -33.5 0.1 4.0 -1.0 137 152 A K H 3< S+ 0 0 175 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.783 103.6 42.8 -59.2 -28.1 -2.7 3.5 -3.6 138 153 A K T << S+ 0 0 83 -3,-1.3 2,-0.3 -4,-0.7 -1,-0.3 0.362 106.5 77.1-100.6 4.3 -2.4 -0.3 -3.3 139 154 A L < - 0 0 16 -3,-1.7 2,-0.2 -4,-0.3 -40,-0.0 -0.881 68.6-135.6-119.3 148.7 -2.2 -0.5 0.5 140 155 A K >> - 0 0 152 -2,-0.3 3,-1.6 1,-0.1 4,-0.8 -0.639 35.8-106.6 -91.1 157.5 -4.6 -0.1 3.3 141 156 A K G >4 S+ 0 0 116 1,-0.3 3,-1.0 -2,-0.2 4,-0.2 0.878 121.4 55.6 -51.2 -41.5 -3.7 1.9 6.4 142 157 A A G >4 S+ 0 0 82 1,-0.2 3,-1.4 2,-0.2 -1,-0.3 0.777 95.4 67.8 -64.9 -24.2 -3.2 -1.2 8.4 143 158 A D G X4 S+ 0 0 43 -3,-1.6 3,-3.2 1,-0.3 -1,-0.2 0.837 80.6 77.2 -65.4 -30.5 -0.7 -2.5 5.8 144 159 A W G X< S+ 0 0 14 -3,-1.0 3,-1.1 -4,-0.8 -1,-0.3 0.681 78.2 71.8 -57.8 -17.7 1.8 0.3 6.8 145 160 A A G < S+ 0 0 55 -3,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.774 102.8 43.9 -64.4 -23.9 2.7 -1.8 9.9 146 161 A K G < S+ 0 0 46 -3,-3.2 -38,-2.8 -4,-0.2 2,-0.3 0.342 101.7 92.9 -99.7 3.0 4.5 -4.1 7.4 147 162 A V E < -f 108 0A 3 -3,-1.1 39,-0.5 -4,-0.2 2,-0.4 -0.773 44.3-179.7-110.6 144.9 6.1 -1.3 5.4 148 163 A V E -f 109 0A 0 -40,-2.6 -38,-3.2 -2,-0.3 2,-0.5 -0.996 19.4-143.6-135.9 133.4 9.5 0.4 5.5 149 164 A I E -fg 110 187A 0 37,-2.1 39,-2.8 -2,-0.4 2,-0.5 -0.866 8.5-161.7-100.5 129.3 10.5 3.1 3.1 150 165 A A E -fg 111 188A 0 -40,-2.6 -38,-2.4 -2,-0.5 2,-0.7 -0.961 8.9-150.5-104.8 123.3 14.1 3.4 1.9 151 166 A Y E -fg 112 189A 2 37,-3.2 39,-3.8 -2,-0.5 40,-0.4 -0.842 13.1-167.5 -92.8 118.4 15.1 6.7 0.4 152 167 A E - 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0 0 11 -40,-3.3 2,-1.9 -2,-0.7 3,-0.2 -0.909 17.8-150.9-109.0 106.6 3.7 -22.5 32.1 386 168 B P > - 0 0 1 0, 0.0 3,-1.8 0, 0.0 45,-0.2 -0.567 16.2-177.9 -73.8 90.4 2.0 -25.5 33.4 387 169 B V G > S+ 0 0 26 -2,-1.9 3,-2.4 -40,-0.5 -39,-0.2 0.844 74.0 77.2 -54.7 -31.6 2.0 -24.3 37.0 388 170 B W G 3 S+ 0 0 14 -41,-1.7 -1,-0.3 1,-0.3 6,-0.2 0.421 94.3 48.6 -60.8 2.8 0.4 -27.7 37.8 389 171 B A G < S+ 0 0 15 -3,-1.8 2,-0.8 4,-0.1 -1,-0.3 0.302 83.6 98.5-128.0 4.5 3.8 -29.3 37.4 390 172 B I S < S- 0 0 88 -3,-2.4 -41,-0.1 1,-0.2 -1,-0.1 -0.845 106.1 -16.1-100.6 104.1 6.0 -27.1 39.6 391 173 B G S S+ 0 0 82 -2,-0.8 -1,-0.2 3,-0.1 -2,-0.1 0.804 114.1 91.4 79.7 34.3 6.4 -28.7 43.0 392 174 B T S S- 0 0 51 -3,-0.3 -2,-0.1 2,-0.2 -3,-0.1 0.431 94.6-110.9-135.0 -11.2 3.6 -31.3 42.9 393 175 B G 0 0 84 1,-0.3 -4,-0.1 -4,-0.2 -3,-0.1 0.450 360.0 360.0 90.7 1.8 5.3 -34.4 41.4 394 176 B K 0 0 112 -6,-0.2 -1,-0.3 2,-0.0 -2,-0.2 -0.668 360.0 360.0 -90.8 360.0 3.5 -34.3 38.1 395 ! 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 0.0 396 178 B A 0 0 50 0, 0.0 -7,-0.0 0, 0.0 34,-0.0 0.000 360.0 360.0 360.0 126.5 4.4 -32.8 32.1 397 179 B T > - 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0 0 88 -45,-0.2 2,-0.4 -42,-0.1 -1,-0.2 -0.412 68.1-177.8 -61.9 113.3 10.6 -27.9 33.8 432 214 B V + 0 0 20 -2,-0.4 2,-0.2 -3,-0.1 20,-0.2 -0.900 13.4 162.6-119.4 143.4 13.0 -28.6 30.9 433 215 B N > - 0 0 50 -2,-0.4 4,-2.1 26,-0.1 5,-0.2 -0.835 54.8 -82.8-137.7-173.7 16.3 -30.2 30.7 434 216 B G H > S+ 0 0 29 -2,-0.2 4,-0.7 1,-0.2 23,-0.0 0.841 122.3 56.0 -59.7 -37.3 18.6 -31.7 28.0 435 217 B K H 4 S+ 0 0 182 1,-0.2 4,-0.4 2,-0.1 -1,-0.2 0.947 121.6 23.9 -61.3 -49.3 16.8 -35.1 28.0 436 218 B N H > S+ 0 0 52 1,-0.1 4,-2.3 2,-0.1 -2,-0.2 0.579 102.6 80.7-100.1 -9.2 13.3 -33.7 27.3 437 219 B A H X S+ 0 0 0 -4,-2.1 4,-3.0 2,-0.2 5,-0.2 0.913 92.1 50.5 -66.1 -45.0 14.0 -30.4 25.5 438 220 B R H X S+ 0 0 45 -4,-0.7 4,-1.8 1,-0.2 -1,-0.2 0.940 112.8 46.2 -60.3 -49.1 14.6 -31.8 22.1 439 221 B T H 4 S+ 0 0 73 -4,-0.4 4,-0.3 1,-0.2 -1,-0.2 0.903 114.2 49.5 -57.8 -42.9 11.4 -33.9 22.2 440 222 B L H >< S+ 0 0 5 -4,-2.3 3,-1.5 1,-0.2 -2,-0.2 0.915 109.5 50.4 -64.2 -42.3 9.5 -30.9 23.5 441 223 B Y H 3< S+ 0 0 12 -4,-3.0 5,-0.3 1,-0.3 -1,-0.2 0.819 99.6 65.0 -69.8 -29.5 10.8 -28.6 20.8 442 224 B Q T 3< S+ 0 0 102 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.605 78.1 111.3 -68.1 -9.8 9.9 -31.0 18.0 443 225 B Q S X S- 0 0 49 -3,-1.5 3,-1.4 -4,-0.3 -44,-0.0 -0.417 80.9-119.5 -66.0 143.8 6.3 -30.5 19.0 444 226 B R T 3 S+ 0 0 198 1,-0.3 -1,-0.1 -2,-0.1 -3,-0.0 0.814 107.5 34.9 -53.0 -39.2 4.5 -28.7 16.2 445 227 B D T 3 S+ 0 0 20 -216,-0.1 2,-0.5 -20,-0.0 -1,-0.3 0.155 90.1 106.1-112.0 19.6 3.5 -25.6 18.3 446 228 B V < + 0 0 0 -3,-1.4 -19,-0.2 -5,-0.3 3,-0.1 -0.879 36.3 174.0-100.8 124.2 6.5 -25.3 20.5 447 229 B N - 0 0 2 -21,-2.5 -214,-2.0 -2,-0.5 2,-0.3 0.184 58.9 -58.0-116.6 16.6 8.8 -22.4 19.7 448 230 B G E -j 233 0B 0 -22,-0.4 -20,-2.7 -216,-0.2 2,-0.3 -0.969 61.8 -72.5 142.3-157.3 11.3 -22.5 22.5 449 231 B F E -jp 234 428B 0 -216,-1.8 -214,-3.2 -2,-0.3 2,-0.5 -0.970 3.9-153.8-145.3 148.8 11.5 -22.3 26.2 450 232 B L E +j 235 0B 4 -22,-1.9 2,-0.2 -2,-0.3 -214,-0.2 -0.982 45.1 158.4-116.0 111.4 11.3 -20.2 29.3 451 233 B A E -j 236 0B 12 -216,-3.0 -214,-3.4 -2,-0.5 -20,-0.1 -0.778 43.9 -74.8-130.0 173.6 13.5 -22.0 31.8 452 234 B G E -j 237 0B 10 -2,-0.2 2,-1.4 -216,-0.2 -214,-0.2 -0.368 48.8-107.4 -65.9 146.1 15.4 -21.4 35.0 453 238 B L S S+ 0 0 8 -216,-1.1 -214,-0.2 -217,-0.1 -209,-0.2 -0.656 75.5 122.6 -73.7 92.4 18.7 -19.5 34.8 454 239 B K S > S- 0 0 95 -2,-1.4 3,-2.2 -205,-0.1 4,-0.2 -0.921 78.7 -93.1-148.8 169.9 21.0 -22.5 35.4 455 240 B P T > S+ 0 0 58 0, 0.0 3,-1.8 0, 0.0 4,-0.3 0.824 118.5 66.7 -61.7 -30.2 23.9 -24.3 33.7 456 241 B E T >> S+ 0 0 68 1,-0.3 4,-1.6 2,-0.2 3,-1.1 0.659 77.6 86.1 -61.9 -14.7 21.5 -26.7 32.0 457 242 B F H <> S+ 0 0 0 -3,-2.2 4,-2.6 1,-0.3 -1,-0.3 0.808 78.5 64.9 -58.1 -25.9 20.2 -23.7 30.1 458 243 B V H <> S+ 0 0 22 -3,-1.8 4,-1.5 1,-0.2 -1,-0.3 0.883 103.0 46.5 -63.7 -38.1 23.0 -24.4 27.6 459 244 B D H <> S+ 0 0 67 -3,-1.1 4,-1.3 -4,-0.3 -1,-0.2 0.816 107.9 56.7 -72.2 -33.5 21.3 -27.7 26.7 460 245 B I H >< S+ 0 0 2 -4,-1.6 3,-0.8 2,-0.2 4,-0.3 0.959 105.9 50.0 -61.8 -48.5 18.0 -26.0 26.4 461 246 B I H >< S+ 0 0 2 -4,-2.6 3,-1.5 1,-0.2 -2,-0.2 0.901 108.3 54.6 -52.9 -42.2 19.5 -23.6 23.8 462 247 B K H 3< S+ 0 0 103 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.796 98.5 63.0 -64.8 -30.1 20.8 -26.6 21.9 463 248 B A T << S+ 0 0 11 -4,-1.3 2,-1.4 -3,-0.8 -1,-0.3 0.515 75.9 96.4 -74.5 -5.7 17.3 -28.2 21.8 464 249 B T < 0 0 2 -3,-1.5 -1,-0.2 -4,-0.3 -26,-0.1 -0.368 360.0 360.0 -90.3 58.2 15.9 -25.4 19.7 465 250 B Q 0 0 143 -2,-1.4 -23,-0.1 -27,-0.1 -24,-0.1 -0.921 360.0 360.0-158.8 360.0 16.3 -27.0 16.3