==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 22-APR-05 2BPQ . COMPND 2 MOLECULE: ANTHRANILATE PHOSPHORIBOSYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR C.E.LEE,C.GOODFELLOW,F.JAVID-MAJD,E.N.BAKER,J.S.LOTT, . 683 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26426.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 477 69.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 5.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 4.7 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.6 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 . 30 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 73 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 267 39.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 2.5 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 0 1 2 2 2 2 8 2 0 0 2 1 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 0 6 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 . 1 0 0 0 0 2 2 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 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 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 25 A P 0 0 94 0, 0.0 2,-0.3 0, 0.0 18,-0.0 0.000 360.0 360.0 360.0 149.7 4.6 -14.2 -16.5 2 26 A S > - 0 0 45 1,-0.1 4,-2.4 0, 0.0 5,-0.2 -0.964 360.0-106.1-151.1 160.7 3.7 -12.0 -19.6 3 27 A W H > S+ 0 0 14 -2,-0.3 4,-3.2 1,-0.2 5,-0.4 0.932 118.6 49.7 -57.1 -49.3 1.0 -12.0 -22.2 4 28 A P H > S+ 0 0 61 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.909 112.4 48.2 -58.2 -40.0 3.2 -13.3 -25.0 5 29 A Q H > S+ 0 0 98 2,-0.2 4,-1.9 3,-0.2 -2,-0.2 0.923 117.2 41.4 -63.4 -46.0 4.4 -16.2 -22.8 6 30 A I H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -3,-0.2 0.938 116.8 46.3 -69.4 -49.9 0.9 -17.1 -21.7 7 31 A L H X S+ 0 0 0 -4,-3.2 4,-2.3 -5,-0.2 -2,-0.2 0.893 113.3 52.0 -61.5 -36.1 -0.8 -16.7 -25.2 8 32 A G H X S+ 0 0 14 -4,-2.1 4,-1.3 -5,-0.4 -1,-0.2 0.907 106.5 51.6 -64.2 -45.0 2.2 -18.7 -26.7 9 33 A R H <>S+ 0 0 59 -4,-1.9 5,-2.0 1,-0.2 3,-0.2 0.912 111.1 50.0 -57.0 -45.4 1.8 -21.6 -24.3 10 34 A L H ><5S+ 0 0 1 -4,-2.1 3,-1.8 1,-0.2 -2,-0.2 0.926 109.1 49.0 -60.4 -46.6 -2.0 -21.7 -25.2 11 35 A T H 3<5S+ 0 0 14 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.705 104.3 62.4 -67.9 -18.7 -1.3 -21.7 -29.0 12 36 A D T 3<5S- 0 0 105 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.325 118.6-114.0 -81.7 4.9 1.2 -24.5 -28.3 13 37 A N T < 5S+ 0 0 113 -3,-1.8 2,-0.3 1,-0.2 -3,-0.2 0.826 73.0 135.3 57.7 37.8 -1.7 -26.7 -27.0 14 38 A R < - 0 0 122 -5,-2.0 -1,-0.2 -6,-0.1 2,-0.1 -0.785 58.5-117.7-106.7 154.8 -0.2 -26.6 -23.5 15 39 A D - 0 0 82 -2,-0.3 2,-0.1 1,-0.1 -3,-0.0 -0.429 46.5 -97.6 -74.9 164.0 -1.9 -26.0 -20.1 16 40 A L - 0 0 16 -2,-0.1 2,-0.2 1,-0.1 -1,-0.1 -0.455 33.6-108.4 -84.4 159.5 -0.6 -23.0 -18.3 17 41 A A > - 0 0 33 1,-0.2 3,-2.1 -2,-0.1 4,-0.5 -0.537 53.9 -74.6 -81.0 153.1 2.0 -23.0 -15.5 18 42 A R T 3 S+ 0 0 237 1,-0.2 -1,-0.2 -2,-0.2 36,-0.1 -0.160 119.9 19.8 -46.4 136.6 1.0 -22.3 -12.0 19 43 A G T 3> S+ 0 0 33 -3,-0.1 4,-2.1 1,-0.0 -1,-0.2 0.146 97.5 98.1 88.3 -16.4 0.3 -18.6 -11.4 20 44 A Q H <> S+ 0 0 13 -3,-2.1 4,-2.4 2,-0.2 5,-0.2 0.908 81.0 47.2 -75.9 -43.4 -0.3 -17.8 -15.1 21 45 A A H > S+ 0 0 0 -4,-0.5 4,-2.7 2,-0.2 5,-0.2 0.923 114.7 48.7 -58.3 -45.6 -4.1 -17.9 -15.2 22 46 A A H > S+ 0 0 29 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.917 111.2 50.5 -62.5 -43.7 -4.3 -15.7 -12.0 23 47 A W H X S+ 0 0 66 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.943 113.1 45.0 -56.8 -51.8 -1.8 -13.2 -13.4 24 48 A A H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.914 113.8 48.9 -61.1 -47.8 -3.7 -12.9 -16.7 25 49 A M H X S+ 0 0 2 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.903 113.3 47.8 -60.4 -42.3 -7.1 -12.6 -14.9 26 50 A D H X S+ 0 0 55 -4,-2.8 4,-1.7 2,-0.2 -2,-0.2 0.875 106.2 56.0 -72.1 -34.7 -5.7 -10.0 -12.5 27 51 A Q H <>S+ 0 0 45 -4,-2.6 5,-3.2 -5,-0.2 -1,-0.2 0.916 111.9 45.7 -57.7 -39.9 -4.2 -8.0 -15.4 28 52 A I H ><5S+ 0 0 1 -4,-1.9 3,-1.3 1,-0.2 135,-0.5 0.948 113.1 47.9 -64.8 -49.6 -7.7 -7.9 -16.9 29 53 A M H 3<5S+ 0 0 30 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.685 112.0 49.9 -69.6 -18.4 -9.4 -7.0 -13.6 30 54 A T T 3<5S- 0 0 70 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.301 119.0-105.6-103.0 7.0 -6.9 -4.1 -12.9 31 55 A G T < 5S+ 0 0 29 -3,-1.3 -3,-0.2 -4,-0.2 -2,-0.1 0.809 83.8 122.5 78.4 32.7 -7.2 -2.5 -16.3 32 56 A N < + 0 0 93 -5,-3.2 2,-0.4 -6,-0.2 -4,-0.2 -0.213 48.6 88.9-115.0 40.3 -3.9 -3.7 -17.8 33 57 A A - 0 0 12 -5,-0.2 -9,-0.0 -6,-0.1 -2,-0.0 -1.000 66.4-130.5-143.9 138.4 -5.0 -5.6 -20.9 34 58 A R >> - 0 0 23 -2,-0.4 4,-2.3 476,-0.2 3,-0.7 -0.490 35.3-107.9 -80.6 151.8 -5.7 -4.6 -24.5 35 59 A P H 3> S+ 0 0 35 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.878 120.0 52.6 -48.6 -42.1 -9.0 -5.8 -26.1 36 60 A A H 3> S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.828 109.4 48.7 -61.3 -38.0 -7.1 -8.3 -28.2 37 61 A Q H <> S+ 0 0 31 -3,-0.7 4,-2.4 2,-0.2 5,-0.2 0.896 112.3 48.3 -67.8 -44.1 -5.3 -9.9 -25.2 38 62 A I H X S+ 0 0 2 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.947 116.1 43.1 -60.3 -50.3 -8.6 -10.1 -23.3 39 63 A A H X S+ 0 0 0 -4,-2.4 4,-2.8 -5,-0.2 5,-0.3 0.940 115.1 48.4 -65.8 -49.0 -10.5 -11.8 -26.2 40 64 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.2 5,-0.2 0.926 115.8 44.5 -56.0 -46.9 -7.6 -14.1 -27.1 41 65 A F H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.946 114.9 46.8 -66.1 -48.4 -7.1 -15.3 -23.5 42 66 A A H X S+ 0 0 4 -4,-2.8 4,-0.7 -5,-0.2 135,-0.6 0.938 116.2 44.7 -62.7 -44.0 -10.9 -15.7 -22.8 43 67 A V H >X S+ 0 0 2 -4,-2.8 4,-1.6 -5,-0.2 3,-1.0 0.954 114.3 48.9 -63.8 -46.9 -11.5 -17.6 -26.1 44 68 A A H 3X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.3 3,-0.4 0.928 110.4 50.6 -57.1 -46.3 -8.4 -19.9 -25.6 45 69 A M H 3< S+ 0 0 13 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.650 111.1 50.3 -70.4 -13.8 -9.3 -20.7 -22.0 46 70 A T H << S+ 0 0 23 -3,-1.0 -1,-0.2 -4,-0.7 -2,-0.2 0.680 112.8 45.4 -91.4 -25.9 -12.8 -21.6 -23.3 47 71 A M H < S+ 0 0 12 -4,-1.6 -2,-0.2 -3,-0.4 2,-0.2 0.845 98.7 79.8 -83.8 -40.3 -11.5 -23.9 -26.0 48 72 A K S < S- 0 0 27 -4,-2.5 -38,-0.0 -5,-0.2 -34,-0.0 -0.470 96.9 -98.0 -67.2 139.4 -8.9 -25.8 -23.9 49 73 A A - 0 0 66 -2,-0.2 -1,-0.1 1,-0.1 -2,-0.1 -0.341 51.7-112.4 -53.3 131.3 -10.0 -28.6 -21.6 50 74 A P - 0 0 31 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.283 28.7-157.7 -74.3 159.4 -10.3 -27.0 -18.2 51 75 A T > - 0 0 34 1,-0.1 4,-2.7 154,-0.0 5,-0.3 -0.970 23.8-127.4-131.3 151.0 -8.1 -27.9 -15.2 52 76 A A H > S+ 0 0 36 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.894 109.6 54.2 -64.1 -39.9 -8.8 -27.4 -11.5 53 77 A D H > S+ 0 0 133 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.937 114.5 40.0 -60.6 -45.0 -5.5 -25.5 -11.0 54 78 A E H > S+ 0 0 10 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.920 116.6 47.7 -70.4 -46.2 -6.4 -23.0 -13.7 55 79 A V H X S+ 0 0 3 -4,-2.7 4,-2.8 1,-0.2 5,-0.3 0.903 110.3 54.8 -63.6 -39.4 -10.1 -22.6 -12.9 56 80 A G H X S+ 0 0 23 -4,-2.7 4,-2.2 -5,-0.3 -1,-0.2 0.888 110.7 46.3 -56.4 -44.2 -9.1 -22.2 -9.2 57 81 A E H X S+ 0 0 35 -4,-1.6 4,-2.0 -5,-0.2 -2,-0.2 0.924 113.3 46.8 -65.5 -49.5 -6.8 -19.3 -10.2 58 82 A L H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.939 117.0 43.7 -58.5 -50.2 -9.3 -17.6 -12.4 59 83 A A H X S+ 0 0 0 -4,-2.8 4,-3.2 2,-0.2 5,-0.2 0.860 110.1 55.1 -64.8 -39.5 -12.1 -17.9 -9.8 60 84 A G H X S+ 0 0 35 -4,-2.2 4,-1.8 -5,-0.3 -1,-0.2 0.901 110.7 45.9 -62.3 -41.6 -9.9 -16.9 -6.9 61 85 A V H X S+ 0 0 15 -4,-2.0 4,-1.1 2,-0.2 -2,-0.2 0.946 114.4 47.2 -62.3 -52.0 -8.9 -13.6 -8.7 62 86 A M H >X S+ 0 0 26 -4,-2.4 3,-0.8 1,-0.2 4,-0.5 0.939 112.8 49.9 -56.8 -42.6 -12.6 -12.9 -9.7 63 87 A L H >< S+ 0 0 12 -4,-3.2 3,-1.1 1,-0.2 -1,-0.2 0.857 102.8 61.1 -67.1 -32.3 -13.7 -13.6 -6.1 64 88 A S H 3< S+ 0 0 77 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.786 106.0 47.4 -65.1 -25.9 -10.9 -11.3 -4.7 65 89 A H H << S+ 0 0 54 -4,-1.1 -1,-0.3 -3,-0.8 -2,-0.2 0.521 91.9 108.3 -89.6 -6.4 -12.6 -8.4 -6.6 66 90 A A S << S- 0 0 16 -3,-1.1 93,-0.2 -4,-0.5 92,-0.1 -0.375 77.9-110.6 -73.0 150.6 -16.1 -9.2 -5.4 67 91 A H - 0 0 95 91,-2.4 -1,-0.1 -2,-0.1 2,-0.1 -0.671 39.0-143.3 -76.3 121.6 -18.0 -7.1 -2.8 68 92 A P - 0 0 90 0, 0.0 120,-0.2 0, 0.0 3,-0.1 -0.370 12.6-110.0 -82.4 168.4 -18.2 -9.1 0.3 69 93 A L - 0 0 19 118,-0.5 3,-0.1 1,-0.1 70,-0.1 -0.616 51.6 -79.9 -85.3 159.0 -21.1 -9.3 2.7 70 94 A P > - 0 0 37 0, 0.0 3,-1.0 0, 0.0 4,-0.3 -0.199 61.2 -82.0 -58.2 149.5 -20.6 -7.6 6.2 71 95 A A T 3 S+ 0 0 91 1,-0.2 0, 0.0 2,-0.1 0, 0.0 -0.165 111.6 9.7 -52.5 142.4 -18.8 -9.6 8.9 72 96 A D T 3 S+ 0 0 168 2,-0.1 -1,-0.2 -3,-0.1 4,-0.0 0.779 97.6 106.2 55.7 36.1 -20.8 -12.2 10.7 73 97 A T < + 0 0 43 -3,-1.0 -2,-0.1 1,-0.1 -1,-0.1 0.551 59.2 73.2-115.6 -11.4 -23.9 -12.0 8.5 74 98 A V S S- 0 0 40 -4,-0.3 -1,-0.1 -5,-0.1 -2,-0.1 -0.905 87.1-121.9-103.7 117.4 -23.7 -15.2 6.5 75 99 A P > - 0 0 50 0, 0.0 3,-2.0 0, 0.0 -2,-0.1 -0.258 18.5-120.0 -56.2 147.4 -24.6 -18.2 8.6 76 100 A D T 3 S+ 0 0 132 1,-0.3 115,-0.3 114,-0.1 -2,-0.0 0.746 114.6 48.4 -55.1 -28.5 -21.9 -20.9 8.9 77 101 A D T 3 S+ 0 0 58 113,-0.1 -1,-0.3 114,-0.1 229,-0.1 0.221 79.8 135.0-102.9 14.2 -24.4 -23.3 7.3 78 102 A A < - 0 0 1 -3,-2.0 114,-0.8 29,-0.1 113,-0.5 -0.264 36.9-158.3 -60.6 149.3 -25.6 -21.2 4.3 79 103 A V E -ab 109 192A 0 29,-2.3 31,-2.6 112,-0.1 2,-0.3 -0.895 13.6-133.1-128.6 155.8 -25.8 -23.0 0.9 80 104 A D E - b 0 193A 4 112,-1.7 114,-1.9 -2,-0.3 2,-0.4 -0.786 13.4-166.8 -98.1 155.2 -25.8 -22.0 -2.8 81 105 A V E + b 0 194A 0 -2,-0.3 2,-0.3 112,-0.2 114,-0.2 -0.923 30.4 145.6-141.0 110.4 -28.4 -23.5 -5.1 82 106 A V E - b 0 195A 21 112,-2.4 114,-3.4 -2,-0.4 2,-0.4 -1.000 41.7-153.5-152.8 141.4 -27.4 -22.8 -8.8 83 107 A G E - b 0 196A 8 -2,-0.3 114,-0.2 38,-0.2 145,-0.1 -0.994 15.7-152.8-109.7 131.6 -27.5 -24.2 -12.3 84 108 A T - 0 0 14 112,-2.8 37,-0.3 -2,-0.4 36,-0.2 0.782 24.5-161.6 -69.2 -29.6 -24.6 -22.8 -14.6 85 109 A G + 0 0 0 142,-0.1 113,-0.9 1,-0.1 114,-0.2 -0.327 29.1 137.9 69.1-159.7 -26.5 -23.2 -17.8 86 110 A G B > +G 89 0B 3 3,-0.9 3,-1.7 34,-0.2 -1,-0.1 -0.134 48.7 59.7 102.7 156.1 -24.5 -23.2 -21.1 87 111 A D T 3 S- 0 0 112 1,-0.3 3,-0.1 -2,-0.1 -2,-0.1 0.778 132.6 -60.3 65.2 27.8 -24.8 -25.4 -24.1 88 112 A G T 3 S+ 0 0 83 1,-0.3 2,-0.3 32,-0.0 -1,-0.3 0.333 104.3 135.2 79.3 -6.2 -28.4 -24.2 -24.7 89 113 A V B < +G 86 0B 28 -3,-1.7 -3,-0.9 136,-0.1 2,-0.3 -0.554 26.2 172.1 -75.5 131.8 -29.4 -25.6 -21.3 90 114 A N + 0 0 73 -2,-0.3 177,-0.6 -5,-0.2 3,-0.2 -0.810 16.7 155.2-145.5 107.6 -31.6 -23.4 -19.1 91 115 A T > + 0 0 6 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.144 28.4 131.1-118.2 34.3 -33.2 -24.6 -15.8 92 116 A V H > S+ 0 0 8 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.808 73.2 59.7 -56.0 -29.8 -33.6 -21.2 -14.1 93 117 A N H > S+ 0 0 5 -3,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.965 109.6 39.9 -61.8 -50.8 -37.2 -22.4 -13.4 94 118 A L H > S+ 0 0 0 1,-0.2 4,-2.9 171,-0.2 5,-0.2 0.928 116.7 50.0 -63.9 -47.8 -36.0 -25.4 -11.4 95 119 A S H X S+ 0 0 6 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.878 110.2 48.4 -61.6 -46.0 -33.2 -23.6 -9.7 96 120 A T H X S+ 0 0 7 -4,-2.1 4,-1.9 -5,-0.2 -1,-0.2 0.945 115.1 45.7 -58.0 -49.5 -35.3 -20.6 -8.5 97 121 A M H X S+ 0 0 0 -4,-1.9 4,-2.4 -5,-0.2 -2,-0.2 0.908 111.6 51.6 -64.2 -41.7 -38.0 -22.9 -7.1 98 122 A A H X S+ 0 0 0 -4,-2.9 4,-2.8 1,-0.2 5,-0.2 0.895 107.9 53.0 -62.3 -39.0 -35.4 -25.2 -5.4 99 123 A A H X S+ 0 0 2 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.926 110.2 45.9 -65.7 -44.8 -33.7 -22.3 -3.7 100 124 A I H X S+ 0 0 1 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.926 114.4 49.3 -61.5 -43.6 -37.0 -21.0 -2.2 101 125 A V H X S+ 0 0 0 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.906 111.8 48.5 -61.7 -46.3 -38.0 -24.5 -1.1 102 126 A V H <>S+ 0 0 0 -4,-2.8 5,-1.9 2,-0.2 3,-0.2 0.927 113.7 46.2 -59.2 -47.7 -34.5 -25.1 0.5 103 127 A A H ><5S+ 0 0 7 -4,-2.5 3,-1.7 1,-0.2 -2,-0.2 0.914 110.5 54.0 -62.3 -40.8 -34.7 -21.7 2.3 104 128 A A H 3<5S+ 0 0 20 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.760 101.1 60.2 -65.8 -27.0 -38.3 -22.5 3.4 105 129 A A T 3<5S- 0 0 21 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.503 127.9 -99.8 -77.2 -6.0 -37.1 -25.8 4.9 106 130 A G T < 5S+ 0 0 55 -3,-1.7 -3,-0.2 1,-0.3 -2,-0.2 0.535 85.1 124.7 101.7 9.3 -34.8 -23.7 7.2 107 131 A V < - 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0 0 126 -2,-0.2 3,-1.6 1,-0.1 4,-0.4 -0.822 26.2-121.8-102.8 147.0 24.7 -33.0 -37.6 601 286 B L G > S+ 0 0 85 -2,-0.3 3,-1.7 1,-0.3 4,-0.4 0.889 110.1 57.8 -56.2 -43.0 21.8 -30.6 -37.0 602 287 B D G 3 S+ 0 0 132 1,-0.3 3,-0.5 2,-0.2 -1,-0.3 0.687 96.2 64.6 -64.9 -16.1 24.1 -27.8 -35.8 603 288 B Q G < S+ 0 0 93 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.653 103.2 47.7 -77.6 -17.7 26.1 -27.8 -39.0 604 289 B L S < S+ 0 0 4 -3,-1.7 -1,-0.2 -4,-0.4 -165,-0.2 0.430 83.9 129.9-102.4 -5.0 23.1 -26.7 -41.0 605 290 B A - 0 0 72 -3,-0.5 -169,-0.1 -4,-0.4 -3,-0.0 -0.224 47.7-141.4 -62.5 135.2 22.1 -23.8 -38.7 606 291 B G - 0 0 34 -171,-0.8 2,-0.2 1,-0.1 -1,-0.1 -0.172 15.5-164.8 -77.5-179.5 21.4 -20.3 -40.1 607 292 B G - 0 0 44 1,-0.3 -1,-0.1 2,-0.0 -169,-0.1 -0.499 39.3 -43.4-137.6-146.3 22.4 -17.0 -38.5 608 293 B D S > S- 0 0 107 -2,-0.2 4,-2.9 1,-0.1 -1,-0.3 -0.259 72.1 -83.5 -80.1 179.4 21.5 -13.3 -38.9 609 294 B A H > S+ 0 0 20 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.864 130.8 45.1 -54.3 -40.1 21.2 -11.6 -42.3 610 295 B Q H > S+ 0 0 132 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.844 112.2 50.4 -75.8 -36.1 24.9 -11.0 -42.5 611 296 B A H > S+ 0 0 48 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.924 113.2 47.7 -64.2 -46.3 25.9 -14.5 -41.4 612 297 B N H X S+ 0 0 7 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.902 108.7 53.8 -58.9 -45.8 23.5 -16.0 -44.0 613 298 B A H X S+ 0 0 2 -4,-2.1 4,-1.9 -5,-0.3 -1,-0.2 0.837 107.4 51.1 -61.8 -35.7 24.9 -13.7 -46.7 614 299 B A H X S+ 0 0 55 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.896 110.3 48.8 -67.2 -42.5 28.5 -14.9 -46.1 615 300 B A H X S+ 0 0 31 -4,-1.7 4,-3.1 2,-0.2 5,-0.3 0.893 107.2 55.8 -63.6 -41.5 27.5 -18.5 -46.3 616 301 B V H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 5,-0.3 0.952 110.2 45.9 -57.5 -48.1 25.6 -17.9 -49.6 617 302 B R H X S+ 0 0 135 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.904 112.6 50.5 -65.1 -37.0 28.8 -16.5 -51.0 618 303 B A H <>S+ 0 0 49 -4,-2.3 5,-2.5 2,-0.2 4,-0.3 0.975 115.5 41.7 -59.3 -51.4 30.9 -19.4 -49.7 619 304 B V H ><5S+ 0 0 6 -4,-3.1 3,-1.5 1,-0.2 -2,-0.2 0.919 115.2 48.4 -68.0 -45.3 28.5 -22.0 -51.1 620 305 B L H 3<5S+ 0 0 5 -4,-2.8 52,-0.5 -5,-0.3 -1,-0.2 0.789 108.0 56.9 -65.7 -26.3 28.0 -20.3 -54.5 621 306 B G T 3<5S- 0 0 51 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.2 0.466 130.3 -95.4 -84.9 -3.5 31.8 -19.8 -54.7 622 307 B G T < 5 + 0 0 31 -3,-1.5 -3,-0.2 -4,-0.3 -2,-0.1 0.517 63.9 161.0 108.5 9.5 32.1 -23.6 -54.4 623 308 B A < - 0 0 49 -5,-2.5 2,-0.3 -6,-0.2 -1,-0.3 -0.384 29.4-143.9 -64.9 135.2 32.7 -24.4 -50.7 624 309 B R + 0 0 180 -2,-0.1 3,-0.1 4,-0.1 -1,-0.1 -0.679 45.3 83.5-102.5 155.3 32.0 -28.0 -49.9 625 310 B G S > S- 0 0 23 -2,-0.3 4,-2.4 1,-0.1 5,-0.1 -0.921 89.4 -40.7 146.7-172.9 30.4 -29.4 -46.8 626 311 B P H > S+ 0 0 37 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.827 128.7 53.3 -57.4 -34.4 27.1 -30.0 -45.0 627 312 B V H > S+ 0 0 33 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.951 109.7 45.8 -69.8 -48.3 25.6 -26.7 -46.0 628 313 B R H > S+ 0 0 8 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.941 111.6 54.9 -55.7 -47.1 26.3 -27.2 -49.7 629 314 B D H X S+ 0 0 39 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.925 109.1 45.9 -53.4 -49.6 24.9 -30.7 -49.5 630 315 B A H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.854 112.5 51.8 -64.0 -35.9 21.7 -29.5 -48.0 631 316 B V H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.930 110.7 46.9 -63.6 -49.9 21.4 -26.7 -50.6 632 317 B V H X S+ 0 0 3 -4,-2.7 4,-2.8 2,-0.2 5,-0.2 0.907 111.8 52.3 -58.5 -45.5 21.9 -29.2 -53.5 633 318 B L H X S+ 0 0 0 -4,-2.4 4,-2.3 -5,-0.3 -1,-0.2 0.931 113.8 41.4 -57.8 -48.3 19.4 -31.6 -52.1 634 319 B N H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.892 114.1 51.7 -71.1 -38.7 16.6 -29.0 -51.7 635 320 B A H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.941 110.6 50.1 -57.6 -45.4 17.4 -27.4 -55.1 636 321 B A H X S+ 0 0 0 -4,-2.8 4,-3.0 -5,-0.2 -2,-0.2 0.931 106.7 55.2 -60.7 -41.3 17.1 -30.9 -56.5 637 322 B G H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.915 108.4 47.8 -58.8 -41.4 13.8 -31.4 -54.8 638 323 B A H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.880 110.6 51.0 -64.0 -39.4 12.4 -28.2 -56.4 639 324 B I H X S+ 0 0 4 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.910 108.6 52.5 -66.5 -40.3 13.7 -29.4 -59.8 640 325 B V H X S+ 0 0 10 -4,-3.0 4,-1.7 2,-0.2 -2,-0.2 0.923 109.3 49.0 -56.1 -46.2 11.9 -32.7 -59.2 641 326 B A H < S+ 0 0 1 -4,-2.1 4,-0.4 1,-0.2 -2,-0.2 0.925 111.1 50.9 -60.7 -43.1 8.7 -30.9 -58.4 642 327 B H H >X S+ 0 0 32 -4,-2.4 3,-1.8 1,-0.2 4,-0.5 0.926 106.5 53.3 -59.9 -44.1 9.2 -28.8 -61.6 643 328 B A H >X S+ 0 0 35 -4,-2.7 4,-1.3 1,-0.3 3,-1.2 0.870 99.4 66.4 -58.6 -32.9 9.7 -32.0 -63.7 644 329 B G H 3< S+ 0 0 27 -4,-1.7 -1,-0.3 1,-0.3 -63,-0.2 0.596 87.4 67.7 -65.2 -14.9 6.4 -33.2 -62.2 645 330 B L H <4 S+ 0 0 36 -3,-1.8 -1,-0.3 -4,-0.4 -2,-0.2 0.849 106.6 37.9 -70.5 -36.3 4.5 -30.5 -64.1 646 331 B S H << 0 0 112 -3,-1.2 -2,-0.2 -4,-0.5 -1,-0.1 0.767 360.0 360.0 -92.2 -35.6 5.2 -32.0 -67.5 647 332 B S < 0 0 113 -4,-1.3 -3,-0.1 2,-0.0 -4,-0.0 0.494 360.0 360.0 -90.5 360.0 5.0 -35.8 -67.0 648 ! 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 0.0 649 334 B A 0 0 53 0, 0.0 2,-0.2 0, 0.0 -5,-0.0 0.000 360.0 360.0 360.0 119.9 8.4 -39.0 -64.4 650 335 B E > - 0 0 149 1,-0.1 4,-2.4 4,-0.0 5,-0.2 -0.433 360.0-131.9 -73.2 137.1 10.0 -41.8 -62.5 651 336 B W H > S+ 0 0 46 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.896 98.2 43.1 -57.3 -55.8 11.1 -40.8 -59.0 652 337 B L H > S+ 0 0 104 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.933 117.0 46.0 -64.9 -47.1 14.7 -42.0 -58.7 653 338 B P H > S+ 0 0 78 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.860 110.4 54.8 -59.0 -38.8 15.7 -40.8 -62.3 654 339 B A H X S+ 0 0 16 -4,-2.4 4,-3.2 2,-0.2 -2,-0.2 0.923 110.1 47.6 -58.5 -45.8 14.0 -37.4 -61.6 655 340 B W H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 5,-0.3 0.926 109.6 51.0 -59.5 -47.6 16.2 -37.1 -58.5 656 341 B E H X S+ 0 0 126 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.911 114.6 44.4 -59.0 -39.2 19.4 -38.1 -60.2 657 342 B E H X S+ 0 0 83 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.918 112.3 51.9 -70.1 -47.1 18.7 -35.4 -62.9 658 343 B G H X S+ 0 0 0 -4,-3.2 4,-2.5 1,-0.2 -2,-0.2 0.899 112.8 46.1 -52.0 -43.9 17.6 -32.8 -60.3 659 344 B L H X S+ 0 0 19 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.857 111.1 51.6 -72.1 -36.5 20.9 -33.4 -58.4 660 345 B R H X S+ 0 0 137 -4,-1.8 4,-2.5 -5,-0.3 -2,-0.2 0.938 114.0 44.1 -60.2 -48.9 23.0 -33.3 -61.6 661 346 B R H X S+ 0 0 64 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.888 114.3 48.9 -66.9 -44.6 21.4 -29.9 -62.5 662 347 B A H X S+ 0 0 0 -4,-2.5 4,-1.5 -5,-0.2 -1,-0.2 0.942 113.4 46.0 -56.5 -52.4 21.7 -28.5 -59.0 663 348 B S H X S+ 0 0 35 -4,-2.4 4,-3.0 1,-0.2 -2,-0.2 0.916 113.6 50.1 -58.9 -45.2 25.4 -29.5 -58.6 664 349 B A H X S+ 0 0 34 -4,-2.5 4,-2.9 1,-0.2 6,-0.5 0.876 102.5 60.0 -61.9 -44.1 26.2 -28.2 -62.1 665 350 B A H < S+ 0 0 5 -4,-2.4 6,-2.4 2,-0.2 5,-0.4 0.913 116.0 35.2 -49.0 -44.3 24.5 -24.8 -61.4 666 351 B I H >< S+ 0 0 4 -4,-1.5 3,-2.3 4,-0.2 6,-0.3 0.984 119.0 48.2 -72.7 -57.1 27.0 -24.3 -58.6 667 352 B D H 3< S+ 0 0 93 -4,-3.0 -2,-0.2 1,-0.3 -3,-0.2 0.695 109.0 52.1 -64.4 -28.1 30.0 -26.0 -60.1 668 353 B T T 3< S- 0 0 105 -4,-2.9 -1,-0.3 -5,-0.2 -2,-0.1 0.502 114.1-115.8 -76.6 -7.4 29.8 -24.2 -63.5 669 354 B G S <> S+ 0 0 21 -3,-2.3 4,-2.3 -5,-0.2 5,-0.2 0.441 81.6 126.9 79.3 2.2 29.6 -20.8 -61.6 670 355 B A H > S+ 0 0 31 -6,-0.5 4,-2.1 -5,-0.4 -4,-0.2 0.853 71.2 48.7 -58.6 -36.0 26.1 -20.4 -63.0 671 356 B A H > S+ 0 0 0 -6,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.951 110.4 48.3 -71.6 -50.6 24.7 -19.8 -59.5 672 357 B E H > S+ 0 0 87 -52,-0.5 4,-1.8 -6,-0.3 -2,-0.2 0.901 115.5 46.7 -54.3 -40.5 27.3 -17.2 -58.4 673 358 B Q H X S+ 0 0 106 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.840 106.8 56.6 -75.0 -34.3 26.7 -15.4 -61.7 674 359 B L H X S+ 0 0 2 -4,-2.1 4,-2.5 -5,-0.2 -2,-0.2 0.941 107.0 49.9 -60.9 -45.4 22.9 -15.6 -61.4 675 360 B L H X S+ 0 0 16 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.946 110.3 50.9 -56.3 -46.2 23.2 -13.8 -58.0 676 361 B A H X S+ 0 0 49 -4,-1.8 4,-2.9 1,-0.2 -2,-0.2 0.934 111.3 47.5 -58.1 -47.2 25.4 -11.1 -59.7 677 362 B R H X S+ 0 0 109 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.864 110.5 52.8 -59.5 -38.7 22.9 -10.6 -62.4 678 363 B W H X S+ 0 0 11 -4,-2.5 4,-1.6 2,-0.2 -203,-0.3 0.934 111.8 44.5 -62.8 -48.0 20.1 -10.4 -59.8 679 364 B V H X S+ 0 0 37 -4,-2.7 4,-1.5 1,-0.2 -2,-0.2 0.927 113.0 53.3 -58.0 -49.0 22.0 -7.7 -57.9 680 365 B R H X S+ 0 0 160 -4,-2.9 4,-0.7 -5,-0.2 -2,-0.2 0.878 104.4 55.3 -51.1 -46.8 22.8 -5.9 -61.2 681 366 B F H >< S+ 0 0 6 -4,-2.4 3,-1.0 1,-0.2 -1,-0.2 0.924 108.5 46.7 -55.4 -50.0 19.1 -5.9 -62.2 682 367 B G H 3< S+ 0 0 3 -4,-1.6 4,-0.2 1,-0.2 -1,-0.2 0.794 108.2 57.2 -66.7 -27.8 18.0 -4.1 -59.0 683 368 B R H 3< S+ 0 0 152 -4,-1.5 -1,-0.2 -5,-0.1 -2,-0.2 0.547 88.7 98.6 -82.3 -7.8 20.8 -1.5 -59.3 684 369 B Q S << S- 0 0 62 -3,-1.0 2,-1.3 -4,-0.7 -3,-0.0 -0.238 93.5 -99.5 -68.7 162.0 19.7 -0.5 -62.8 685 370 B I - 0 0 174 2,-0.0 2,-0.6 -2,-0.0 -1,-0.1 -0.758 50.7-166.6 -84.4 93.2 17.6 2.6 -63.4 686 371 B L - 0 0 23 -2,-1.3 2,-0.3 -4,-0.2 -204,-0.1 -0.758 2.9-165.1 -94.9 121.3 14.3 0.7 -63.6 687 372 B A 0 0 70 -2,-0.6 -2,-0.0 1,-0.1 0, 0.0 -0.847 360.0 360.0-112.6 144.6 11.3 2.6 -64.9 688 373 B A 0 0 151 -2,-0.3 -1,-0.1 -206,-0.0 -2,-0.0 0.751 360.0 360.0 -72.1 360.0 7.6 1.9 -64.8