==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 16-FEB-11 3QQS . COMPND 2 MOLECULE: ANTHRANILATE PHOSPHORIBOSYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR A.CASTELL,F.L.SHORT,J.S.LOTT,TB STRUCTURAL GENOMICS CONSORTI . 1365 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 56276.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 958 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 80 5.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 66 4.8 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 . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.3 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 . 68 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 137 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 547 40.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 33 2.4 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 4 0 0 3 1 4 9 8 5 3 11 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 0 0 12 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 . 3 0 0 0 0 4 4 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 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 25 A P 0 0 116 0, 0.0 2,-0.3 0, 0.0 19,-0.0 0.000 360.0 360.0 360.0 114.3 24.8 -31.4 33.1 2 26 A S > - 0 0 47 1,-0.1 4,-2.5 0, 0.0 5,-0.2 -0.987 360.0-100.7-162.6 170.0 24.5 -30.4 29.4 3 27 A W H > S+ 0 0 18 -2,-0.3 4,-3.5 1,-0.2 5,-0.5 0.960 118.0 48.9 -66.0 -52.0 22.9 -27.8 27.0 4 28 A P H > S+ 0 0 103 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.869 114.7 48.2 -50.8 -40.0 20.0 -29.9 25.8 5 29 A Q H > S+ 0 0 93 2,-0.2 4,-1.9 3,-0.2 -2,-0.2 0.960 117.5 38.8 -67.6 -49.4 19.2 -30.7 29.4 6 30 A I H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -3,-0.2 0.930 119.0 45.8 -69.5 -48.0 19.4 -27.1 30.6 7 31 A L H X S+ 0 0 30 -4,-3.5 4,-2.7 1,-0.2 5,-0.2 0.902 112.1 54.2 -61.7 -39.6 17.7 -25.5 27.5 8 32 A G H X S+ 0 0 25 -4,-1.8 4,-1.2 -5,-0.5 -1,-0.2 0.891 108.4 48.2 -60.5 -39.5 15.0 -28.2 27.6 9 33 A R H <>S+ 0 0 54 -4,-1.9 5,-2.1 2,-0.2 3,-0.2 0.936 112.6 48.0 -69.4 -42.8 14.2 -27.4 31.3 10 34 A L H ><5S+ 0 0 1 -4,-2.2 3,-1.8 1,-0.2 -2,-0.2 0.924 110.5 50.8 -60.7 -46.3 14.0 -23.7 30.6 11 35 A T H 3<5S+ 0 0 92 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.713 104.6 58.3 -68.9 -20.9 11.8 -24.1 27.5 12 36 A D T 3<5S- 0 0 109 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.2 0.168 119.7-114.8 -85.3 15.6 9.5 -26.3 29.6 13 37 A N T < 5 + 0 0 110 -3,-1.8 2,-0.4 1,-0.2 -3,-0.2 0.824 69.5 139.4 52.5 38.9 9.1 -23.3 31.9 14 38 A R < - 0 0 130 -5,-2.1 -1,-0.2 -6,-0.1 -2,-0.1 -0.908 57.0-112.4-111.8 140.8 10.8 -25.0 34.9 15 39 A D - 0 0 85 -2,-0.4 2,-0.1 1,-0.1 30,-0.0 -0.342 43.7-102.1 -59.1 146.5 13.3 -23.4 37.2 16 40 A L - 0 0 19 1,-0.1 2,-0.2 -2,-0.0 -1,-0.1 -0.397 32.0-108.7 -71.4 152.2 16.8 -24.7 37.0 17 41 A A >> - 0 0 36 1,-0.1 3,-2.3 -3,-0.1 4,-0.5 -0.503 54.6 -77.4 -68.2 148.1 18.3 -27.2 39.4 18 42 A R T 34 S+ 0 0 222 1,-0.3 -1,-0.1 -2,-0.2 36,-0.0 -0.198 120.0 19.2 -47.2 132.2 21.0 -25.8 41.7 19 43 A G T 3> S+ 0 0 34 -3,-0.1 4,-2.5 35,-0.0 -1,-0.3 0.137 97.6 98.6 87.6 -17.7 24.3 -25.5 39.9 20 44 A Q H <> S+ 0 0 16 -3,-2.3 4,-2.6 2,-0.2 5,-0.2 0.947 83.7 45.9 -69.6 -48.2 22.8 -25.6 36.4 21 45 A A H X S+ 0 0 0 -4,-0.5 4,-2.6 1,-0.2 5,-0.2 0.946 115.9 49.8 -54.9 -45.3 22.8 -21.8 35.8 22 46 A A H > S+ 0 0 26 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.901 109.1 50.7 -58.5 -44.2 26.4 -21.8 37.2 23 47 A W H X S+ 0 0 68 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.925 111.0 49.7 -59.1 -45.2 27.4 -24.7 34.9 24 48 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.947 111.5 46.1 -63.3 -48.4 26.0 -22.8 31.9 25 49 A M H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.917 109.6 55.3 -63.1 -40.6 27.7 -19.5 32.7 26 50 A D H X S+ 0 0 59 -4,-2.6 4,-1.1 -5,-0.2 6,-0.2 0.925 108.1 49.0 -60.0 -40.4 31.0 -21.3 33.3 27 51 A Q H <>S+ 0 0 41 -4,-2.1 5,-1.7 1,-0.2 3,-0.4 0.902 109.1 53.4 -58.3 -44.0 30.7 -22.9 29.8 28 52 A I H ><5S+ 0 0 1 -4,-2.3 3,-0.7 1,-0.2 5,-0.3 0.902 112.9 43.9 -58.8 -37.7 30.0 -19.5 28.4 29 53 A M H 3<5S+ 0 0 11 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.530 107.3 55.4 -93.5 -10.2 33.2 -18.1 30.0 30 54 A T T 3<5S- 0 0 64 -4,-1.1 -1,-0.2 -3,-0.4 -2,-0.2 0.204 115.7-110.9-100.8 14.4 35.6 -20.9 29.2 31 55 A G T < 5S+ 0 0 43 -3,-0.7 -3,-0.2 130,-0.3 -2,-0.1 0.601 87.0 119.1 69.7 14.0 34.7 -20.5 25.5 32 56 A N < + 0 0 103 -5,-1.7 2,-0.4 -6,-0.2 -4,-0.2 0.032 51.8 87.4 -97.8 23.3 32.9 -23.8 25.3 33 57 A A S S- 0 0 13 -6,-0.4 -2,-0.0 -5,-0.3 -9,-0.0 -0.987 71.3-134.6-127.7 129.1 29.5 -22.4 24.4 34 58 A R >> - 0 0 161 -2,-0.4 4,-2.5 1,-0.1 3,-0.5 -0.473 27.5-115.3 -72.6 146.5 28.3 -21.7 20.9 35 59 A P H 3> S+ 0 0 63 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.890 119.0 55.4 -48.9 -43.5 26.6 -18.3 20.3 36 60 A A H 3> S+ 0 0 78 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.889 109.0 47.0 -57.7 -40.7 23.4 -20.2 19.5 37 61 A Q H <> S+ 0 0 54 -3,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.908 112.1 49.7 -65.1 -43.4 23.6 -21.9 22.9 38 62 A I H X S+ 0 0 1 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.942 115.4 43.8 -60.1 -47.2 24.4 -18.6 24.7 39 63 A A H X S+ 0 0 21 -4,-2.8 4,-2.8 1,-0.2 5,-0.3 0.948 112.3 51.1 -66.6 -48.4 21.4 -16.9 22.9 40 64 A A H X S+ 0 0 43 -4,-2.8 4,-2.8 -5,-0.2 5,-0.3 0.924 113.4 46.8 -52.5 -42.9 19.0 -19.8 23.5 41 65 A F H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 5,-0.3 0.948 112.0 48.4 -71.3 -45.7 19.9 -19.8 27.2 42 66 A A H X S+ 0 0 1 -4,-2.5 4,-1.7 1,-0.2 135,-0.7 0.932 117.7 42.2 -56.5 -47.0 19.6 -16.0 27.7 43 67 A V H X S+ 0 0 54 -4,-2.8 4,-2.6 2,-0.2 5,-0.3 0.950 113.7 49.1 -69.3 -49.2 16.2 -16.0 26.0 44 68 A A H X S+ 0 0 12 -4,-2.8 4,-2.0 -5,-0.3 5,-0.2 0.906 111.4 50.1 -62.2 -41.8 14.7 -19.1 27.5 45 69 A M H X S+ 0 0 0 -4,-2.4 4,-1.8 -5,-0.3 -1,-0.2 0.919 111.0 51.0 -59.7 -40.2 15.7 -18.0 31.1 46 70 A T H < S+ 0 0 35 -4,-1.7 -2,-0.2 -5,-0.3 -1,-0.2 0.952 111.8 43.9 -63.1 -52.1 14.1 -14.7 30.4 47 71 A M H < S+ 0 0 148 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.819 113.3 51.8 -67.5 -28.4 10.7 -16.0 29.2 48 72 A K H < S- 0 0 14 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.871 121.0-112.4 -69.2 -32.6 10.6 -18.6 32.0 49 73 A A < - 0 0 58 -4,-1.8 -3,-0.2 -5,-0.2 -2,-0.1 0.623 30.1-113.0 93.4 104.9 11.2 -15.7 34.5 50 74 A P - 0 0 10 0, 0.0 2,-0.3 0, 0.0 155,-0.1 -0.267 25.1-138.7 -66.3 149.2 14.6 -15.9 36.2 51 75 A T > - 0 0 37 1,-0.1 4,-2.3 154,-0.0 5,-0.2 -0.706 24.3-113.3 -97.6 163.0 14.9 -16.6 39.9 52 76 A A H > S+ 0 0 33 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.891 118.7 57.7 -58.4 -39.7 17.3 -14.9 42.3 53 77 A D H > S+ 0 0 125 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.938 109.5 42.6 -53.3 -51.6 19.0 -18.3 42.7 54 78 A E H > S+ 0 0 5 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.941 116.6 45.1 -62.9 -52.6 19.7 -18.6 39.0 55 79 A V H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.883 112.1 53.4 -62.6 -38.8 20.8 -14.9 38.5 56 80 A G H X S+ 0 0 24 -4,-3.0 4,-2.4 -5,-0.2 -1,-0.2 0.901 108.1 51.4 -59.9 -41.8 23.0 -15.2 41.6 57 81 A E H X S+ 0 0 41 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.932 110.6 47.9 -58.2 -48.6 24.6 -18.3 40.2 58 82 A L H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.897 114.6 44.0 -59.2 -46.5 25.4 -16.5 36.9 59 83 A A H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.871 111.0 57.4 -70.6 -35.9 26.8 -13.4 38.5 60 84 A G H X S+ 0 0 33 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.918 106.3 47.6 -57.8 -49.9 28.8 -15.7 40.9 61 85 A V H X S+ 0 0 17 -4,-2.4 4,-1.0 2,-0.2 5,-0.2 0.964 112.2 50.8 -54.1 -52.1 30.5 -17.5 38.1 62 86 A M H >X S+ 0 0 4 -4,-2.1 4,-1.3 1,-0.2 3,-1.0 0.917 112.6 44.6 -53.6 -47.6 31.3 -14.2 36.5 63 87 A L H 3< S+ 0 0 16 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.802 105.4 62.5 -68.1 -30.8 32.8 -12.8 39.7 64 88 A S H 3< S+ 0 0 75 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.683 114.0 34.9 -66.2 -21.2 34.7 -16.0 40.2 65 89 A H H << S+ 0 0 72 -3,-1.0 -2,-0.2 -4,-1.0 -1,-0.2 0.529 95.8 107.5-105.8 -16.2 36.5 -15.3 36.9 66 90 A A S < S- 0 0 12 -4,-1.3 93,-0.2 -5,-0.2 92,-0.1 -0.283 83.2-100.6 -61.6 148.6 36.8 -11.5 37.1 67 91 A H - 0 0 76 91,-2.2 -1,-0.1 90,-0.1 -2,-0.1 -0.608 47.3-144.1 -66.2 115.3 40.1 -9.8 37.9 68 92 A P - 0 0 88 0, 0.0 120,-0.2 0, 0.0 3,-0.1 -0.370 13.6-106.2 -80.4 164.2 39.8 -8.9 41.6 69 93 A L - 0 0 18 118,-0.6 3,-0.1 1,-0.1 5,-0.1 -0.579 52.4 -84.7 -77.1 152.8 41.2 -5.8 43.3 70 94 A P > - 0 0 48 0, 0.0 3,-0.9 0, 0.0 4,-0.2 -0.233 61.4 -83.7 -54.1 150.5 44.3 -6.4 45.5 71 95 A A T 3 S+ 0 0 88 1,-0.2 0, 0.0 2,-0.1 0, 0.0 -0.202 110.2 12.3 -59.3 146.3 43.5 -7.6 49.1 72 96 A D T 3 S+ 0 0 178 2,-0.1 -1,-0.2 -3,-0.1 0, 0.0 0.772 98.5 106.1 59.6 33.6 42.6 -5.0 51.7 73 97 A T < + 0 0 37 -3,-0.9 -2,-0.1 1,-0.2 -1,-0.1 0.548 60.1 68.6-117.7 -15.9 42.2 -2.2 49.1 74 98 A V S S- 0 0 36 -4,-0.2 -1,-0.2 -5,-0.1 -2,-0.1 -0.945 85.6-124.5-110.4 113.1 38.4 -1.7 48.9 75 99 A P > - 0 0 45 0, 0.0 3,-1.9 0, 0.0 -2,-0.1 -0.211 21.7-116.2 -53.6 145.6 36.9 -0.2 52.1 76 100 A D T 3 S+ 0 0 130 1,-0.3 115,-0.3 114,-0.1 -2,-0.0 0.684 114.6 49.0 -58.0 -21.2 34.1 -2.2 53.7 77 101 A D T 3 S+ 0 0 58 113,-0.1 -1,-0.3 114,-0.1 229,-0.1 0.058 77.7 139.6-110.4 25.5 31.7 0.6 53.0 78 102 A A < - 0 0 0 -3,-1.9 114,-1.5 110,-0.1 113,-0.4 -0.357 36.1-153.0 -69.2 148.1 32.5 1.3 49.3 79 103 A V E -ab 109 192A 0 29,-2.0 31,-2.2 112,-0.1 2,-0.3 -0.910 8.5-149.3-124.2 154.9 29.5 2.0 47.1 80 104 A D E - b 0 193A 5 112,-1.4 114,-2.0 -2,-0.3 2,-0.3 -0.838 1.4-163.2-112.3 152.5 28.6 1.6 43.4 81 105 A V E + b 0 194A 0 -2,-0.3 2,-0.3 112,-0.2 114,-0.2 -0.889 41.5 125.2-133.6 107.6 26.3 3.7 41.3 82 106 A V E - b 0 195A 11 112,-1.8 114,-2.2 -2,-0.3 2,-0.3 -0.985 35.4-158.3-162.1 150.3 25.4 1.8 38.1 83 107 A G E - b 0 196A 18 -2,-0.3 114,-0.2 112,-0.3 3,-0.1 -0.863 34.3-110.3-134.2 171.5 22.4 0.6 36.1 84 108 A T - 0 0 22 112,-1.8 113,-0.1 -2,-0.3 98,-0.1 0.738 51.0-154.9 -66.3 -24.9 21.4 -1.9 33.5 85 109 A G + 0 0 25 142,-0.1 113,-0.5 1,-0.1 -1,-0.2 -0.236 57.5 110.2 64.7-168.2 20.9 0.8 30.9 86 110 A G + 0 0 44 3,-0.1 -1,-0.1 -3,-0.1 93,-0.0 0.718 34.8 135.9 78.8 22.4 18.5 0.0 28.1 87 111 A D - 0 0 27 2,-0.2 3,-0.1 1,-0.1 -1,-0.0 0.604 61.4-133.9 -80.3 -11.8 16.0 2.6 29.3 88 112 A G S S+ 0 0 74 1,-0.2 2,-0.4 3,-0.0 -1,-0.1 0.283 73.1 106.5 82.5 -12.9 15.4 3.9 25.8 89 113 A V S S- 0 0 33 136,-0.1 2,-1.2 177,-0.0 -1,-0.2 -0.826 73.9-129.2 -92.2 133.7 15.6 7.6 26.8 90 114 A N + 0 0 49 -2,-0.4 177,-1.6 -3,-0.1 2,-0.3 -0.755 45.7 169.7 -83.9 100.3 18.8 9.3 25.8 91 115 A T B -G 266 0B 17 -2,-1.2 175,-0.3 175,-0.3 30,-0.2 -0.726 39.7-100.6-106.6 161.2 19.8 10.8 29.2 92 116 A V - 0 0 5 173,-2.5 2,-1.8 -2,-0.3 3,-0.2 -0.261 58.7 -86.5 -56.1 162.5 22.8 12.6 30.7 93 117 A N > + 0 0 20 1,-0.2 4,-2.4 180,-0.2 5,-0.2 -0.493 57.5 166.5 -85.7 73.1 25.0 10.3 32.7 94 118 A L H > S+ 0 0 0 -2,-1.8 4,-2.7 1,-0.2 -1,-0.2 0.843 73.1 51.2 -58.1 -39.2 23.2 10.6 36.1 95 119 A S H > S+ 0 0 9 2,-0.2 4,-2.6 -3,-0.2 -1,-0.2 0.932 111.7 46.5 -65.9 -47.1 24.9 7.6 37.7 96 120 A T H > S+ 0 0 4 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.904 115.2 47.0 -63.2 -39.2 28.4 8.8 36.8 97 121 A M H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.953 112.6 49.1 -67.0 -44.8 27.6 12.3 38.0 98 122 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.871 107.9 55.5 -62.0 -39.2 26.1 11.0 41.2 99 123 A A H X S+ 0 0 1 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.903 106.5 49.7 -57.1 -46.1 29.1 8.8 41.8 100 124 A I H X S+ 0 0 0 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.950 113.4 46.4 -57.9 -49.1 31.5 11.8 41.6 101 125 A V H X S+ 0 0 0 -4,-1.9 4,-1.5 1,-0.2 -1,-0.2 0.850 111.1 51.9 -62.8 -41.7 29.4 13.8 44.1 102 126 A V H <>S+ 0 0 0 -4,-2.5 5,-1.8 2,-0.2 3,-0.3 0.927 109.1 49.5 -61.6 -47.3 29.1 10.8 46.5 103 127 A A H ><5S+ 0 0 8 -4,-2.6 3,-1.8 1,-0.2 -2,-0.2 0.912 109.5 54.1 -55.7 -40.7 32.9 10.3 46.5 104 128 A A H 3<5S+ 0 0 22 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.801 99.0 60.3 -71.0 -28.5 33.1 14.1 47.2 105 129 A A T 3<5S- 0 0 22 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.523 128.7 -99.1 -70.4 -5.4 30.8 13.7 50.2 106 130 A G T < 5S+ 0 0 59 -3,-1.8 -3,-0.2 1,-0.3 -2,-0.2 0.559 83.3 129.4 99.4 10.0 33.5 11.3 51.6 107 131 A V < - 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0 0 20 -177,-1.6 -175,-0.2 -175,-0.1 2,-0.1 -0.570 7.8-162.3-112.2 176.8 21.9 13.8 26.8 268 292 A G - 0 0 18 1,-0.5 -148,-0.1 -2,-0.2 -1,-0.1 -0.329 46.2 -30.7-130.3-146.0 24.0 14.0 23.6 269 293 A D S > S- 0 0 89 -2,-0.1 4,-2.5 1,-0.1 -1,-0.5 -0.075 76.0 -85.2 -69.8 175.8 27.3 12.8 22.4 270 294 A A H > S+ 0 0 26 -150,-0.4 4,-2.8 1,-0.2 5,-0.2 0.894 130.6 50.3 -52.2 -44.0 30.3 12.3 24.8 271 295 A Q H > S+ 0 0 117 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.901 111.5 47.5 -63.8 -44.6 31.3 16.0 24.4 272 296 A A H > S+ 0 0 46 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.878 114.5 46.6 -60.0 -41.8 27.8 17.2 25.2 273 297 A N H X S+ 0 0 3 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.862 110.7 52.1 -74.1 -35.8 27.5 14.8 28.2 274 298 A A H X S+ 0 0 0 -4,-2.8 4,-2.5 -5,-0.2 -2,-0.2 0.928 108.9 50.4 -61.0 -47.5 31.0 15.8 29.5 275 299 A A H X S+ 0 0 51 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.866 107.9 54.5 -61.9 -33.6 30.0 19.5 29.3 276 300 A A H X S+ 0 0 22 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.910 105.9 51.3 -67.2 -38.6 26.9 18.6 31.2 277 301 A V H X S+ 0 0 0 -4,-1.8 4,-2.8 1,-0.2 5,-0.3 0.973 111.4 48.3 -59.0 -51.9 29.0 17.0 34.0 278 302 A R H X S+ 0 0 117 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.874 109.3 52.1 -55.3 -39.9 31.1 20.2 34.2 279 303 A A H <>S+ 0 0 50 -4,-2.2 5,-2.5 2,-0.2 -1,-0.2 0.903 113.1 45.0 -67.4 -42.9 28.0 22.5 34.3 280 304 A V H ><5S+ 0 0 5 -4,-2.1 3,-1.8 3,-0.2 -2,-0.2 0.930 114.1 46.4 -62.8 -50.2 26.6 20.5 37.2 281 305 A L H 3<5S+ 0 0 4 -4,-2.8 52,-0.5 1,-0.3 -2,-0.2 0.784 108.2 60.2 -68.2 -22.1 29.8 20.3 39.2 282 306 A G T 3<5S- 0 0 45 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.342 125.2-100.6 -84.9 3.2 30.2 24.0 38.6 283 307 A G T < 5 + 0 0 30 -3,-1.8 -3,-0.2 1,-0.3 -2,-0.1 0.430 59.9 164.5 97.2 1.3 27.0 24.8 40.3 284 308 A A < - 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0 0 53 -6,-0.4 2,-0.4 -9,-0.1 -9,-0.0 -0.217 51.3-158.7 -66.8 138.1 19.5 3.8 59.8 311 335 A E > - 0 0 131 1,-0.1 4,-2.4 -2,-0.0 5,-0.2 -0.978 21.4-127.3-122.4 130.1 16.0 5.3 59.5 312 336 A W H > S+ 0 0 62 -2,-0.4 4,-1.5 1,-0.2 5,-0.1 0.698 100.0 38.6 -54.1 -45.2 14.5 6.1 56.1 313 337 A L H > S+ 0 0 102 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.930 117.5 46.2 -75.7 -53.1 13.5 9.8 56.3 314 338 A P H > S+ 0 0 64 0, 0.0 4,-2.4 0, 0.0 -2,-0.2 0.875 112.4 56.2 -53.1 -38.5 16.5 11.1 58.3 315 339 A A H X S+ 0 0 12 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.919 109.2 43.2 -56.3 -51.7 18.7 9.1 55.9 316 340 A W H X S+ 0 0 0 -4,-1.5 4,-2.7 2,-0.2 5,-0.2 0.900 113.9 50.8 -66.3 -42.3 17.3 10.8 52.8 317 341 A E H X S+ 0 0 93 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.881 113.9 44.8 -62.2 -41.6 17.4 14.2 54.3 318 342 A E H X S+ 0 0 105 -4,-2.4 4,-2.8 -5,-0.2 5,-0.2 0.895 111.8 54.0 -65.8 -41.5 21.1 13.6 55.3 319 343 A G H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.926 111.5 43.9 -58.9 -46.8 21.8 12.2 51.8 320 344 A L H X S+ 0 0 20 -4,-2.7 4,-2.8 2,-0.2 5,-0.3 0.895 113.3 50.5 -66.8 -45.5 20.4 15.3 50.1 321 345 A R H X S+ 0 0 159 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.940 114.6 43.9 -55.8 -50.9 22.1 17.7 52.5 322 346 A R H X S+ 0 0 71 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.862 114.7 49.2 -64.8 -40.4 25.5 16.0 52.0 323 347 A A H X S+ 0 0 0 -4,-2.5 4,-1.5 -5,-0.2 -2,-0.2 0.925 113.8 44.9 -69.4 -47.2 25.0 15.7 48.2 324 348 A S H X S+ 0 0 33 -4,-2.8 4,-3.1 1,-0.2 3,-0.3 0.938 112.6 52.3 -60.6 -45.7 24.1 19.3 47.8 325 349 A A H X S+ 0 0 45 -4,-2.7 4,-2.6 -5,-0.3 6,-0.4 0.867 103.6 57.5 -56.9 -41.1 26.9 20.4 50.1 326 350 A A H < S+ 0 0 5 -4,-1.9 6,-2.6 2,-0.2 5,-0.3 0.872 114.3 38.6 -62.0 -36.7 29.5 18.4 48.1 327 351 A I H >< S+ 0 0 5 -4,-1.5 3,-1.9 -3,-0.3 6,-0.3 0.967 115.7 51.3 -72.4 -53.7 28.5 20.4 45.0 328 352 A D H 3< S+ 0 0 87 -4,-3.1 -2,-0.2 1,-0.3 -3,-0.2 0.809 108.4 50.3 -56.8 -39.1 28.1 23.8 46.7 329 353 A T T 3< S- 0 0 101 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.1 0.553 113.4-115.2 -72.5 -11.3 31.5 23.7 48.5 330 354 A G S <> S+ 0 0 15 -3,-1.9 4,-2.6 -4,-0.2 5,-0.3 0.381 82.5 124.5 86.8 -3.8 33.3 22.9 45.2 331 355 A A H > S+ 0 0 25 -6,-0.4 4,-2.2 -5,-0.3 -4,-0.2 0.915 72.8 48.2 -54.6 -44.2 34.3 19.5 46.6 332 356 A A H > S+ 0 0 0 -6,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.950 112.8 46.5 -66.9 -49.2 32.7 17.6 43.7 333 357 A E H > S+ 0 0 101 -52,-0.5 4,-2.0 -7,-0.3 -1,-0.2 0.887 115.3 47.0 -56.4 -41.6 34.3 19.8 41.0 334 358 A Q H X S+ 0 0 95 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.828 107.3 57.9 -71.1 -33.0 37.7 19.6 42.7 335 359 A L H X S+ 0 0 15 -4,-2.2 4,-2.4 -5,-0.3 -2,-0.2 0.933 106.6 48.0 -65.1 -40.1 37.4 15.9 43.1 336 360 A L H X S+ 0 0 16 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.951 111.6 50.1 -63.9 -48.8 36.9 15.5 39.3 337 361 A A H X S+ 0 0 40 -4,-2.0 4,-2.7 1,-0.2 5,-0.2 0.935 112.4 47.0 -51.7 -50.5 40.0 17.7 38.7 338 362 A R H X S+ 0 0 128 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.872 109.4 54.3 -63.2 -35.5 42.0 15.6 41.1 339 363 A W H X S+ 0 0 8 -4,-2.4 4,-1.6 2,-0.2 -206,-0.3 0.912 110.7 46.5 -61.9 -40.3 40.7 12.4 39.5 340 364 A V H X S+ 0 0 14 -4,-2.3 4,-2.1 2,-0.2 3,-0.2 0.955 112.6 48.5 -67.9 -50.9 41.9 13.7 36.1 341 365 A R H X S+ 0 0 125 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.896 107.3 57.7 -55.5 -41.5 45.4 14.8 37.4 342 366 A F H < S+ 0 0 15 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.912 108.2 45.2 -57.2 -45.8 45.8 11.4 39.1 343 367 A G H >< S+ 0 0 3 -4,-1.6 3,-0.8 -3,-0.2 -1,-0.2 0.832 113.5 49.2 -69.2 -35.8 45.3 9.5 35.8 344 368 A R H 3< S+ 0 0 179 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.849 102.7 60.9 -70.1 -35.9 47.7 11.9 33.9 345 369 A Q T 3< 0 0 155 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.335 360.0 360.0 -73.3 8.0 50.3 11.5 36.7 346 370 A I < 0 0 116 -3,-0.8 -1,-0.2 -5,-0.2 -4,-0.0 -0.411 360.0 360.0 71.6 360.0 50.2 7.8 35.7 347 !* 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 0.0 348 25 B P 0 0 116 0, 0.0 2,-0.3 0, 0.0 19,-0.0 0.000 360.0 360.0 360.0 143.8 72.3 8.0 32.4 349 26 B S > - 0 0 46 1,-0.1 4,-2.1 0, 0.0 5,-0.2 -0.979 360.0-106.3-163.6 161.0 71.9 9.2 28.8 350 27 B W H > S+ 0 0 15 -2,-0.3 4,-2.6 1,-0.2 5,-0.5 0.955 117.9 54.6 -64.5 -48.0 70.4 12.0 26.7 351 28 B P H > S+ 0 0 103 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.881 110.9 47.4 -50.6 -39.3 67.5 9.9 25.5 352 29 B Q H > S+ 0 0 88 2,-0.2 4,-2.0 3,-0.2 -2,-0.2 0.913 116.2 40.5 -71.5 -43.6 66.6 9.1 29.1 353 30 B I H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.967 119.2 44.8 -70.4 -50.7 66.8 12.6 30.5 354 31 B L H X S+ 0 0 30 -4,-2.6 4,-2.9 1,-0.2 5,-0.3 0.882 112.0 55.8 -57.6 -40.7 65.1 14.3 27.4 355 32 B G H X S+ 0 0 25 -4,-1.8 4,-1.5 -5,-0.5 -1,-0.2 0.945 109.6 44.4 -55.3 -50.0 62.6 11.4 27.5 356 33 B R H <>S+ 0 0 60 -4,-2.0 5,-2.2 2,-0.2 -2,-0.2 0.896 114.3 48.7 -67.3 -42.2 61.6 12.2 31.1 357 34 B L H ><5S+ 0 0 2 -4,-2.6 3,-2.3 1,-0.2 -1,-0.2 0.951 111.3 48.6 -61.9 -48.4 61.5 16.0 30.6 358 35 B T H 3<5S+ 0 0 100 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.748 103.9 61.7 -68.4 -22.4 59.3 15.7 27.5 359 36 B D T 3<5S- 0 0 114 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.2 0.350 120.0-117.0 -77.4 6.0 57.1 13.3 29.5 360 37 B N T < 5 + 0 0 111 -3,-2.3 2,-0.4 1,-0.2 -3,-0.2 0.849 69.2 136.8 62.8 36.2 56.6 16.4 31.7 361 38 B R < - 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0 0 49 -5,-2.5 -1,-0.2 -6,-0.2 2,-0.2 -0.232 29.9-139.6 -51.4 130.2 71.7 64.7 37.7 632 309 B R + 0 0 182 4,-0.1 3,-0.1 3,-0.1 -1,-0.1 -0.640 48.7 66.1 -97.1 158.3 68.2 64.4 39.1 633 310 B G S > S- 0 0 23 -2,-0.2 4,-2.5 1,-0.2 3,-0.3 -0.801 93.2 -27.5 132.9-172.5 65.2 62.7 37.6 634 311 B P H > S+ 0 0 40 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.828 128.0 50.9 -44.5 -49.7 63.7 59.3 36.7 635 312 B V H > S+ 0 0 36 -24,-0.2 4,-2.2 2,-0.2 5,-0.2 0.930 111.4 46.2 -60.9 -49.7 67.1 57.6 36.1 636 313 B R H > S+ 0 0 9 -3,-0.3 4,-2.8 1,-0.2 5,-0.2 0.945 110.7 56.3 -55.3 -49.3 68.7 58.7 39.5 637 314 B D H X S+ 0 0 50 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.891 108.8 44.2 -49.6 -49.5 65.4 57.6 41.1 638 315 B A H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.861 113.5 51.4 -70.1 -35.4 65.6 54.0 39.8 639 316 B V H X S+ 0 0 0 -4,-2.2 4,-3.5 2,-0.2 5,-0.2 0.951 110.7 47.4 -62.9 -50.1 69.3 53.7 40.6 640 317 B V H X S+ 0 0 4 -4,-2.8 4,-3.1 1,-0.2 -2,-0.2 0.924 112.9 49.1 -58.6 -47.9 68.9 54.8 44.2 641 318 B L H X S+ 0 0 0 -4,-2.2 4,-1.7 -5,-0.2 -1,-0.2 0.911 114.9 43.9 -59.5 -46.3 66.0 52.5 44.7 642 319 B N H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.902 112.7 51.7 -68.1 -40.2 67.9 49.5 43.2 643 320 B A H X S+ 0 0 0 -4,-3.5 4,-2.3 1,-0.2 -2,-0.2 0.954 109.5 51.0 -56.3 -46.8 71.1 50.5 45.2 644 321 B A H X S+ 0 0 0 -4,-3.1 4,-2.6 1,-0.2 -1,-0.2 0.857 107.4 53.8 -58.5 -38.1 68.9 50.5 48.3 645 322 B G H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.905 107.8 48.8 -64.9 -45.2 67.5 47.0 47.4 646 323 B A H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.903 112.6 50.0 -58.4 -39.8 71.1 45.6 47.2 647 324 B I H X S+ 0 0 1 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.899 108.2 51.4 -67.8 -40.2 71.8 47.3 50.6 648 325 B V H X S+ 0 0 9 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.930 109.4 50.6 -58.7 -46.9 68.6 45.7 52.1 649 326 B A H < S+ 0 0 2 -4,-2.5 4,-0.4 2,-0.2 -2,-0.2 0.920 109.7 52.1 -52.9 -43.7 69.8 42.3 50.8 650 327 B H H >< S+ 0 0 35 -4,-2.2 3,-1.7 1,-0.2 4,-0.3 0.938 107.9 50.0 -58.8 -50.4 73.2 43.1 52.5 651 328 B A H >< S+ 0 0 26 -4,-2.5 3,-1.7 1,-0.3 6,-0.4 0.792 98.5 69.6 -56.9 -33.1 71.4 43.9 55.8 652 329 B G T 3< S+ 0 0 21 -4,-1.8 -1,-0.3 1,-0.3 -63,-0.2 0.646 77.2 78.4 -65.2 -16.9 69.5 40.6 55.5 653 330 B L T < S+ 0 0 41 -3,-1.7 2,-0.5 -4,-0.4 -1,-0.3 0.814 89.4 65.9 -60.1 -31.1 72.8 38.7 56.1 654 331 B S S X S- 0 0 78 -3,-1.7 3,-1.3 -4,-0.3 0, 0.0 -0.825 83.8-145.6 -85.7 128.9 72.1 39.6 59.7 655 332 B S T 3 S+ 0 0 127 -2,-0.5 -1,-0.1 1,-0.2 -3,-0.1 0.511 94.4 70.9 -75.5 -2.2 68.9 37.9 60.9 656 333 B R T 3 S+ 0 0 224 -5,-0.2 -1,-0.2 2,-0.1 2,-0.1 0.586 70.3 125.5 -84.2 -11.9 68.1 41.0 63.1 657 334 B A < - 0 0 50 -3,-1.3 2,-0.4 -6,-0.4 -5,-0.0 -0.266 48.9-152.2 -57.4 121.0 67.3 43.1 59.9 658 335 B E > - 0 0 136 1,-0.1 4,-2.2 -2,-0.1 5,-0.2 -0.854 14.9-131.4 -98.8 131.2 63.8 44.8 60.0 659 336 B W H > S+ 0 0 67 -2,-0.4 4,-1.7 1,-0.2 5,-0.2 0.839 99.0 38.6 -51.6 -55.1 62.2 45.4 56.5 660 337 B L H > S+ 0 0 101 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.938 116.9 48.8 -70.5 -47.9 61.1 49.1 56.7 661 338 B P H > S+ 0 0 64 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.882 111.3 54.3 -52.3 -36.5 64.2 50.4 58.7 662 339 B A H X S+ 0 0 11 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.885 109.4 44.1 -70.0 -43.1 66.4 48.6 56.1 663 340 B W H X S+ 0 0 0 -4,-1.7 4,-2.9 2,-0.2 5,-0.2 0.903 114.3 50.3 -65.5 -44.5 64.8 50.3 53.1 664 341 B E H X S+ 0 0 102 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.934 115.3 42.9 -61.6 -43.6 64.9 53.6 54.8 665 342 B E H X S+ 0 0 89 -4,-2.7 4,-2.3 -5,-0.2 -2,-0.2 0.881 113.4 53.8 -66.1 -40.6 68.6 53.1 55.7 666 343 B G H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.913 110.3 46.0 -55.6 -46.2 69.3 51.7 52.1 667 344 B L H X S+ 0 0 22 -4,-2.9 4,-2.9 2,-0.2 5,-0.3 0.946 112.0 51.0 -67.5 -45.6 67.8 54.8 50.5 668 345 B R H X S+ 0 0 159 -4,-2.1 4,-2.6 -5,-0.2 -2,-0.2 0.946 113.4 44.4 -49.5 -53.1 69.7 57.1 52.8 669 346 B R H X S+ 0 0 73 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.869 114.2 49.6 -68.3 -38.5 73.0 55.4 52.1 670 347 B A H X S+ 0 0 0 -4,-2.4 4,-1.3 2,-0.2 -1,-0.2 0.937 113.4 45.1 -66.7 -48.3 72.4 55.2 48.3 671 348 B S H X S+ 0 0 33 -4,-2.9 4,-2.8 1,-0.2 3,-0.3 0.918 114.2 49.9 -61.4 -44.2 71.4 58.9 48.0 672 349 B A H X S+ 0 0 45 -4,-2.6 4,-2.8 -5,-0.3 6,-0.4 0.862 103.8 58.4 -62.6 -38.1 74.4 60.0 50.2 673 350 B A H < S+ 0 0 4 -4,-2.0 6,-2.6 2,-0.2 7,-0.3 0.829 114.7 37.7 -65.5 -32.0 76.9 57.9 48.2 674 351 B I H >< S+ 0 0 5 -4,-1.3 3,-1.6 -3,-0.3 6,-0.3 0.935 117.1 50.4 -76.4 -51.0 75.9 59.9 45.0 675 352 B D H 3< S+ 0 0 84 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.809 108.4 50.9 -63.1 -37.1 75.5 63.2 46.8 676 353 B T T 3< S- 0 0 104 -4,-2.8 -1,-0.3 -5,-0.2 -3,-0.1 0.598 113.2-118.1 -71.5 -12.1 78.8 63.2 48.5 677 354 B G S <> S+ 0 0 16 -3,-1.6 4,-2.6 -5,-0.2 5,-0.2 0.406 80.2 125.4 85.0 -1.2 80.5 62.4 45.2 678 355 B A H > S+ 0 0 27 -6,-0.4 4,-2.0 -5,-0.3 -4,-0.2 0.877 71.7 49.7 -60.8 -37.4 81.8 59.1 46.6 679 356 B A H > S+ 0 0 0 -6,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.915 111.4 47.2 -68.6 -45.5 80.2 57.1 43.7 680 357 B E H > S+ 0 0 97 -52,-0.5 4,-2.2 -7,-0.3 -2,-0.2 0.919 114.3 47.9 -58.6 -45.8 81.6 59.3 41.0 681 358 B Q H X S+ 0 0 96 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.831 107.9 55.9 -68.3 -34.6 85.1 59.2 42.6 682 359 B L H X S+ 0 0 15 -4,-2.0 4,-2.3 -5,-0.2 -1,-0.2 0.924 107.1 48.8 -65.1 -42.4 84.8 55.4 43.0 683 360 B L H X S+ 0 0 14 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.960 112.1 49.4 -57.9 -50.3 84.2 55.0 39.2 684 361 B A H X S+ 0 0 40 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.931 112.4 47.0 -54.2 -47.5 87.2 57.2 38.6 685 362 B R H X S+ 0 0 129 -4,-2.6 4,-3.1 1,-0.2 -1,-0.2 0.867 110.3 54.1 -63.4 -35.9 89.4 55.2 41.0 686 363 B W H X S+ 0 0 8 -4,-2.3 4,-1.3 2,-0.2 -206,-0.3 0.882 109.4 46.9 -65.7 -39.7 88.1 52.0 39.4 687 364 B V H >X S+ 0 0 15 -4,-2.2 4,-1.9 2,-0.2 3,-0.5 0.967 114.6 47.5 -65.7 -51.1 89.2 53.3 35.9 688 365 B R H 3X S+ 0 0 128 -4,-2.7 4,-2.2 1,-0.2 3,-0.2 0.926 105.6 58.8 -54.5 -50.6 92.6 54.3 37.3 689 366 B F H 3< S+ 0 0 13 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.861 110.3 43.5 -45.0 -44.7 93.1 51.0 39.1 690 367 B G H X< S+ 0 0 2 -4,-1.3 3,-1.2 -3,-0.5 -1,-0.2 0.814 111.1 51.1 -77.8 -35.6 92.8 49.1 35.7 691 368 B R H 3< S+ 0 0 182 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.759 104.3 60.1 -72.5 -24.1 94.9 51.5 33.7 692 369 B Q T 3< 0 0 146 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.162 360.0 360.0 -84.6 17.8 97.6 51.1 36.4 693 370 B I < 0 0 125 -3,-1.2 -1,-0.2 -5,-0.1 -2,-0.0 -0.186 360.0 360.0 46.8 360.0 97.5 47.4 35.5 694 !* 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 0.0 695 25 C P 0 0 92 0, 0.0 2,-0.3 0, 0.0 19,-0.0 0.000 360.0 360.0 360.0-173.2 10.6 73.0 10.3 696 26 C S > - 0 0 44 1,-0.1 4,-2.6 0, 0.0 5,-0.2 -0.974 360.0-112.5-149.1 161.1 13.7 72.2 12.5 697 27 C W H > S+ 0 0 17 -2,-0.3 4,-2.9 2,-0.2 5,-0.5 0.950 117.2 52.6 -59.5 -51.4 15.1 69.6 14.9 698 28 C P H > S+ 0 0 106 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.898 113.8 46.0 -54.6 -36.8 14.9 71.9 17.9 699 29 C Q H > S+ 0 0 99 2,-0.2 4,-1.7 3,-0.2 -2,-0.2 0.943 117.1 41.1 -69.6 -48.3 11.2 72.5 17.0 700 30 C I H X S+ 0 0 0 -4,-2.6 4,-1.9 2,-0.2 -3,-0.2 0.957 118.3 45.0 -65.6 -51.8 10.3 68.8 16.4 701 31 C L H X S+ 0 0 34 -4,-2.9 4,-2.5 1,-0.2 5,-0.2 0.864 112.3 52.5 -61.0 -39.9 12.2 67.3 19.4 702 32 C G H X S+ 0 0 26 -4,-1.6 4,-1.4 -5,-0.5 -1,-0.2 0.882 108.8 50.7 -63.4 -40.5 10.9 70.0 21.7 703 33 C R H <>S+ 0 0 63 -4,-1.7 5,-2.2 2,-0.2 -2,-0.2 0.900 112.2 46.8 -63.2 -41.0 7.4 69.2 20.6 704 34 C L H ><5S+ 0 0 2 -4,-1.9 3,-1.4 3,-0.2 -2,-0.2 0.901 111.1 50.4 -70.2 -42.3 7.9 65.5 21.3 705 35 C T H 3<5S+ 0 0 95 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.740 104.7 57.4 -68.7 -23.3 9.5 66.0 24.7 706 36 C D T 3<5S- 0 0 114 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.270 122.9-112.1 -86.0 10.6 6.6 68.3 25.8 707 37 C N T < 5 + 0 0 113 -3,-1.4 2,-0.4 1,-0.2 -3,-0.2 0.822 69.0 139.7 66.4 40.2 4.5 65.2 25.0 708 38 C R < - 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0 0 104 -147,-0.1 4,-3.0 1,-0.0 5,-0.2 -0.027 360.0 -80.4 -79.3-173.5 65.8 71.7 14.5 1298 294 D A H > S+ 0 0 13 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.808 129.0 46.4 -62.0 -37.1 66.1 71.6 10.7 1299 295 D Q H > S+ 0 0 111 2,-0.2 4,-1.8 1,-0.1 -1,-0.2 0.844 114.5 48.2 -75.5 -33.5 67.5 68.1 10.5 1300 296 D A H > S+ 0 0 37 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.934 111.4 50.3 -68.0 -46.4 64.9 66.7 12.9 1301 297 D N H X S+ 0 0 13 -4,-3.0 4,-2.8 2,-0.2 -2,-0.2 0.892 108.9 52.4 -54.0 -44.9 62.1 68.5 11.0 1302 298 D A H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.915 108.6 50.2 -58.8 -48.1 63.4 67.0 7.7 1303 299 D A H X S+ 0 0 51 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.926 111.3 49.0 -55.1 -48.8 63.3 63.5 9.3 1304 300 D A H X S+ 0 0 25 -4,-2.4 4,-3.0 1,-0.2 3,-0.4 0.956 108.7 53.5 -57.9 -53.0 59.7 64.0 10.5 1305 301 D V H X S+ 0 0 0 -4,-2.8 4,-3.0 1,-0.2 5,-0.4 0.920 107.4 49.8 -44.4 -57.3 58.6 65.3 7.0 1306 302 D R H X S+ 0 0 125 -4,-2.3 4,-0.9 1,-0.2 -1,-0.2 0.864 114.9 45.9 -56.8 -35.4 59.9 62.2 5.3 1307 303 D A H <>S+ 0 0 49 -4,-1.6 5,-2.3 -3,-0.4 4,-0.5 0.928 114.1 45.3 -73.2 -48.3 58.1 60.0 7.8 1308 304 D V H ><5S+ 0 0 8 -4,-3.0 3,-1.5 1,-0.2 -2,-0.2 0.954 116.1 46.2 -62.1 -48.3 54.7 61.8 7.8 1309 305 D L H 3<5S+ 0 0 4 -4,-3.0 52,-0.4 1,-0.3 -1,-0.2 0.778 106.8 61.9 -63.7 -25.6 54.7 62.0 4.0 1310 306 D G T 3<5S- 0 0 48 -4,-0.9 -1,-0.3 -5,-0.4 -2,-0.2 0.552 128.8 -92.7 -79.3 -9.7 55.6 58.3 4.0 1311 307 D G T < 5 + 0 0 33 -3,-1.5 2,-0.3 -4,-0.5 -3,-0.2 0.516 66.7 160.1 113.0 10.6 52.4 57.4 5.8 1312 308 D A < - 0 0 45 -5,-2.3 -1,-0.3 1,-0.1 5,-0.1 -0.457 28.9-143.8 -66.3 125.4 53.4 57.4 9.4 1313 309 D R + 0 0 178 -2,-0.3 3,-0.2 4,-0.1 -1,-0.1 -0.344 47.2 71.1 -86.0 166.4 50.4 57.7 11.7 1314 310 D G S > S- 0 0 26 1,-0.2 4,-2.2 -2,-0.1 3,-0.3 -0.650 91.7 -35.0 119.1-174.7 50.1 59.6 15.0 1315 311 D P H > S+ 0 0 34 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.767 126.9 51.4 -60.4 -40.0 49.9 63.1 16.4 1316 312 D V H > S+ 0 0 24 -23,-0.2 4,-2.9 2,-0.2 5,-0.1 0.919 112.7 47.5 -63.7 -45.5 52.3 64.9 14.0 1317 313 D R H > S+ 0 0 12 -3,-0.3 4,-3.4 2,-0.2 5,-0.2 0.946 112.8 49.1 -55.1 -51.9 50.3 63.5 11.0 1318 314 D D H X S+ 0 0 42 -4,-2.2 4,-3.0 2,-0.2 -2,-0.2 0.937 112.6 47.4 -52.8 -52.1 47.0 64.5 12.7 1319 315 D A H X S+ 0 0 1 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.911 113.5 48.5 -57.7 -45.5 48.4 68.0 13.3 1320 316 D V H X S+ 0 0 0 -4,-2.9 4,-3.1 2,-0.2 -2,-0.2 0.934 112.8 47.5 -58.4 -49.7 49.7 68.2 9.7 1321 317 D V H X S+ 0 0 4 -4,-3.4 4,-3.1 1,-0.2 -2,-0.2 0.944 112.3 49.9 -57.2 -51.3 46.3 67.1 8.3 1322 318 D L H X S+ 0 0 0 -4,-3.0 4,-1.7 2,-0.2 -1,-0.2 0.889 114.6 43.0 -55.3 -48.8 44.4 69.5 10.5 1323 319 D N H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.902 112.3 53.3 -69.3 -40.4 46.5 72.5 9.5 1324 320 D A H X S+ 0 0 0 -4,-3.1 4,-2.0 1,-0.2 -2,-0.2 0.958 110.0 49.3 -52.3 -50.5 46.5 71.4 5.8 1325 321 D A H X S+ 0 0 0 -4,-3.1 4,-2.4 2,-0.2 -1,-0.2 0.834 107.8 53.4 -60.7 -37.7 42.7 71.3 6.0 1326 322 D G H X S+ 0 0 0 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.941 108.0 50.9 -63.7 -48.0 42.6 74.8 7.6 1327 323 D A H X S+ 0 0 0 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.866 111.1 48.9 -51.2 -41.1 44.7 76.1 4.7 1328 324 D I H X S+ 0 0 5 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.878 109.0 51.7 -71.0 -39.1 42.2 74.4 2.3 1329 325 D V H X S+ 0 0 7 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.911 107.8 52.7 -60.6 -43.6 39.1 76.0 4.1 1330 326 D A H < S+ 0 0 2 -4,-2.6 4,-0.2 1,-0.2 -2,-0.2 0.906 107.7 52.0 -57.0 -42.7 40.8 79.4 3.8 1331 327 D H H >< S+ 0 0 37 -4,-1.6 3,-1.2 1,-0.2 -1,-0.2 0.873 106.4 54.8 -60.9 -39.4 41.2 78.7 0.1 1332 328 D A H >< S+ 0 0 39 -4,-1.9 3,-3.2 1,-0.2 -2,-0.2 0.950 94.4 67.9 -56.8 -51.1 37.4 77.9 -0.0 1333 329 D G T 3< S+ 0 0 19 -4,-2.2 -62,-0.3 1,-0.3 -1,-0.2 0.522 80.8 76.0 -52.3 -11.6 36.5 81.3 1.5 1334 330 D L T < 0 0 38 -3,-1.2 -1,-0.3 -4,-0.2 -2,-0.2 0.609 360.0 360.0 -73.0 -11.1 37.7 83.0 -1.6 1335 331 D S < 0 0 101 -3,-3.2 -1,-0.1 2,-0.1 -2,-0.1 0.482 360.0 360.0 16.1 360.0 34.4 81.7 -3.1 1336 ! 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 1337 333 D R 0 0 276 0, 0.0 2,-0.1 0, 0.0 -2,-0.1 0.000 360.0 360.0 360.0 127.3 29.2 81.0 -0.4 1338 334 D A - 0 0 36 -4,-0.1 2,-0.2 -5,-0.0 -5,-0.1 -0.607 360.0-148.7-165.2 98.2 31.5 78.9 1.9 1339 335 D E > - 0 0 147 -2,-0.1 4,-1.7 1,-0.1 5,-0.2 -0.509 11.1-139.6 -76.7 137.2 29.9 76.6 4.5 1340 336 D W H > S+ 0 0 48 -2,-0.2 4,-2.1 2,-0.2 3,-0.2 0.979 91.8 30.7 -66.4 -72.0 32.0 76.0 7.7 1341 337 D L H > S+ 0 0 79 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.920 122.5 50.9 -56.7 -48.6 31.7 72.4 8.8 1342 338 D P H > S+ 0 0 62 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.869 109.1 51.3 -53.3 -40.7 31.2 71.1 5.2 1343 339 D A H X S+ 0 0 17 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.873 111.2 48.8 -66.8 -38.9 34.3 73.1 4.1 1344 340 D W H X S+ 0 0 0 -4,-2.1 4,-3.0 2,-0.2 5,-0.2 0.907 108.7 52.0 -62.2 -47.4 36.3 71.5 6.9 1345 341 D E H X S+ 0 0 97 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.935 113.4 44.8 -56.7 -48.0 35.0 68.0 6.0 1346 342 D E H X S+ 0 0 96 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.927 113.6 50.9 -62.6 -43.7 36.1 68.5 2.4 1347 343 D G H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.879 110.6 48.0 -61.3 -40.6 39.5 70.0 3.6 1348 344 D L H X S+ 0 0 20 -4,-3.0 4,-1.9 2,-0.2 -1,-0.2 0.822 112.0 49.9 -71.4 -33.4 40.2 67.0 5.9 1349 345 D R H X S+ 0 0 154 -4,-1.9 4,-2.4 -5,-0.2 -2,-0.2 0.930 113.7 45.8 -62.2 -49.6 39.3 64.5 3.1 1350 346 D R H X S+ 0 0 76 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.866 113.1 48.5 -68.5 -39.5 41.6 66.3 0.7 1351 347 D A H X S+ 0 0 0 -4,-2.3 4,-1.5 -5,-0.2 -1,-0.2 0.950 113.4 47.4 -66.2 -48.4 44.5 66.6 3.1 1352 348 D S H X S+ 0 0 36 -4,-1.9 4,-2.8 1,-0.2 -2,-0.2 0.899 113.3 47.4 -55.8 -48.0 44.3 63.0 4.2 1353 349 D A H X S+ 0 0 45 -4,-2.4 4,-2.4 2,-0.2 6,-0.4 0.850 103.4 61.9 -65.7 -38.8 44.1 61.7 0.6 1354 350 D A H < S+ 0 0 6 -4,-2.0 6,-2.6 -5,-0.2 5,-0.4 0.914 115.2 35.0 -52.5 -44.6 47.0 63.9 -0.5 1355 351 D I H >< S+ 0 0 4 -4,-1.5 3,-1.6 4,-0.2 6,-0.3 0.967 117.1 50.8 -69.1 -58.5 49.2 61.9 2.0 1356 352 D D H 3< S+ 0 0 82 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.745 109.8 50.4 -59.3 -29.8 47.6 58.4 1.7 1357 353 D T T 3< S- 0 0 100 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.1 0.660 112.7-115.7 -80.7 -17.0 47.8 58.4 -2.1 1358 354 D G S <> S+ 0 0 16 -3,-1.6 4,-3.1 -4,-0.3 5,-0.2 0.367 82.1 123.6 94.5 -2.8 51.5 59.3 -2.1 1359 355 D A H > S+ 0 0 26 -6,-0.4 4,-2.8 -5,-0.4 -4,-0.2 0.894 74.6 47.4 -58.2 -44.1 50.7 62.6 -3.9 1360 356 D A H > S+ 0 0 0 -6,-2.6 4,-1.7 2,-0.2 -1,-0.2 0.884 113.4 47.2 -64.8 -41.7 52.3 64.6 -1.1 1361 357 D E H > S+ 0 0 94 -52,-0.4 4,-1.7 -7,-0.3 -2,-0.2 0.902 114.7 47.1 -66.4 -42.9 55.4 62.5 -1.0 1362 358 D Q H X S+ 0 0 97 -4,-3.1 4,-3.1 2,-0.2 -2,-0.2 0.898 106.5 57.4 -65.8 -42.8 55.7 62.6 -4.8 1363 359 D L H X S+ 0 0 15 -4,-2.8 4,-2.6 -5,-0.2 -2,-0.2 0.916 106.6 50.2 -55.4 -43.0 55.2 66.4 -4.8 1364 360 D L H X S+ 0 0 16 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.914 111.8 46.6 -58.7 -46.9 58.2 66.8 -2.5 1365 361 D A H X S+ 0 0 41 -4,-1.7 4,-3.0 2,-0.2 -2,-0.2 0.922 113.3 49.7 -63.5 -43.3 60.4 64.6 -4.8 1366 362 D R H X S+ 0 0 127 -4,-3.1 4,-1.8 2,-0.2 -2,-0.2 0.875 110.5 50.6 -57.6 -41.8 59.1 66.6 -7.8 1367 363 D W H X S+ 0 0 6 -4,-2.6 4,-1.5 -5,-0.2 -205,-0.3 0.901 111.9 48.0 -61.1 -44.0 59.9 69.8 -5.9 1368 364 D V H X S+ 0 0 16 -4,-2.5 4,-0.8 1,-0.2 3,-0.2 0.952 112.3 47.2 -63.5 -51.9 63.4 68.5 -5.3 1369 365 D R H >X S+ 0 0 115 -4,-3.0 4,-1.4 1,-0.2 3,-0.5 0.814 104.6 64.3 -57.4 -33.3 63.9 67.4 -8.9 1370 366 D F H >< S+ 0 0 24 -4,-1.8 3,-0.8 1,-0.2 -1,-0.2 0.951 99.8 49.5 -58.2 -51.4 62.7 70.8 -10.1 1371 367 D G H 3< S+ 0 0 18 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.694 112.3 50.4 -60.6 -21.7 65.6 72.7 -8.5 1372 368 D R H << 0 0 184 -4,-0.8 -1,-0.2 -3,-0.5 -2,-0.2 0.716 360.0 360.0 -88.8 -24.0 68.0 70.3 -10.1 1373 369 D Q << 0 0 185 -4,-1.4 -3,-0.1 -3,-0.8 -4,-0.0 0.184 360.0 360.0-111.9 360.0 66.7 70.5 -13.7