==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 08-AUG-05 2D0U . COMPND 2 MOLECULE: INDOLEAMINE 2,3-DIOXYGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR H.SUGIMOTO,S.ODA,T.OTSUKI,T.HINO,T.YOSHIDA,Y.SHIRO,RIKEN . 747 4 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32968.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 530 71.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 2.4 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 . 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 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 110 14.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 338 45.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 2.7 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 8 0 8 0 2 6 0 2 0 0 2 0 2 0 0 2 2 0 2 0 0 0 0 0 2 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 6 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 12 A S 0 0 91 0, 0.0 5,-0.1 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0 128.9 63.3 35.5 -0.5 2 13 A K - 0 0 154 1,-0.1 2,-2.0 3,-0.0 4,-0.4 0.190 360.0 -44.7 -79.1-155.1 60.4 33.2 -0.2 3 14 A E S S+ 0 0 113 1,-0.2 -1,-0.1 2,-0.1 288,-0.0 -0.080 82.3 134.6 -69.6 39.9 57.2 33.9 1.7 4 15 A Y S S- 0 0 44 -2,-2.0 -1,-0.2 2,-0.1 291,-0.2 0.276 85.0-105.6 -71.1 15.8 59.0 35.4 4.8 5 16 A H S S+ 0 0 103 1,-0.2 2,-0.4 -3,-0.1 -2,-0.1 0.976 75.0 145.2 56.7 58.2 56.3 38.0 4.4 6 17 A I - 0 0 34 -4,-0.4 6,-0.2 -5,-0.1 -1,-0.2 -0.905 38.3-149.7-131.8 106.4 58.7 40.6 2.9 7 18 A D B > -A 11 0A 57 4,-1.7 4,-1.3 -2,-0.4 6,-0.1 -0.369 16.7-128.8 -70.0 148.6 57.3 42.9 0.3 8 19 A E T 4 S+ 0 0 145 1,-0.2 160,-0.2 2,-0.2 -1,-0.1 0.816 103.9 29.8 -71.9 -31.5 59.7 44.1 -2.3 9 20 A E T 4 S+ 0 0 123 2,-0.1 -1,-0.2 1,-0.1 155,-0.1 0.756 131.4 32.5-100.0 -26.3 58.9 47.8 -2.0 10 21 A V T >4 S- 0 0 2 1,-0.2 3,-1.5 3,-0.1 2,-0.2 0.477 85.0-162.2-109.7 -3.8 57.9 48.0 1.7 11 22 A G B 3< -A 7 0A 0 -4,-1.3 -4,-1.7 1,-0.2 -1,-0.2 -0.392 69.9 -1.0 64.8-124.8 60.1 45.4 3.3 12 23 A F T 3 S+ 0 0 3 148,-0.2 -1,-0.2 -2,-0.2 280,-0.1 0.587 110.7 98.5 -76.8 -12.9 59.1 44.2 6.8 13 24 A A S < S- 0 0 3 -3,-1.5 -6,-0.4 -6,-0.1 108,-0.1 -0.321 87.9 -99.4 -74.2 160.5 56.1 46.5 6.9 14 25 A L - 0 0 16 106,-2.0 2,-0.1 102,-0.1 -1,-0.1 -0.701 39.7-125.7 -83.2 125.2 52.6 45.3 6.1 15 26 A P S S- 0 0 43 0, 0.0 -1,-0.0 0, 0.0 105,-0.0 -0.467 80.3 -11.2 -71.2 139.2 51.8 46.2 2.5 16 27 A N S S- 0 0 118 -2,-0.1 108,-0.1 1,-0.1 105,-0.0 0.887 88.4-141.0 38.0 71.8 48.5 48.2 2.1 17 28 A P - 0 0 8 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.266 15.0-105.2 -65.1 152.3 47.1 47.7 5.6 18 29 A Q - 0 0 50 45,-0.2 105,-0.1 1,-0.1 3,-0.1 -0.541 29.9-173.1 -74.5 134.3 43.4 47.0 6.2 19 30 A E + 0 0 73 -2,-0.2 2,-0.3 1,-0.1 -1,-0.1 0.700 63.8 49.6-100.0 -26.9 41.6 50.1 7.6 20 31 A N - 0 0 117 9,-0.0 47,-0.1 0, 0.0 -1,-0.1 -0.860 63.7-152.5-117.8 152.2 38.2 48.6 8.4 21 32 A L - 0 0 17 -2,-0.3 38,-0.1 1,-0.1 5,-0.0 -0.703 43.6 -73.8-114.0 167.3 37.0 45.5 10.2 22 33 A P > - 0 0 49 0, 0.0 3,-3.7 0, 0.0 4,-0.1 -0.353 47.9-111.3 -61.2 140.0 33.8 43.4 9.7 23 34 A D G > S+ 0 0 131 1,-0.3 3,-2.9 2,-0.2 4,-0.3 0.794 113.9 79.6 -40.9 -32.7 30.8 45.2 11.1 24 35 A F G 3 S+ 0 0 97 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.720 97.0 44.5 -49.8 -22.1 30.7 42.5 13.7 25 36 A Y G X> S+ 0 0 0 -3,-3.7 4,-2.0 1,-0.1 3,-1.1 0.158 70.7 121.0-111.6 17.7 33.5 44.5 15.4 26 37 A N H <> S+ 0 0 80 -3,-2.9 4,-2.5 1,-0.3 5,-0.2 0.836 73.1 61.2 -51.2 -33.8 32.1 48.0 15.2 27 38 A D H 3> S+ 0 0 88 -4,-0.3 4,-1.3 -3,-0.2 -1,-0.3 0.907 107.1 44.3 -61.5 -40.5 32.3 48.2 19.0 28 39 A W H <> S+ 0 0 0 -3,-1.1 4,-2.3 2,-0.2 3,-0.4 0.983 113.0 50.0 -66.6 -56.8 36.0 47.7 18.9 29 40 A M H X S+ 0 0 21 -4,-2.0 4,-3.9 1,-0.2 5,-0.3 0.901 105.6 56.5 -48.0 -52.4 36.7 50.1 16.0 30 41 A F H X S+ 0 0 90 -4,-2.5 4,-1.0 1,-0.2 -1,-0.2 0.896 110.0 44.8 -48.8 -48.9 34.6 53.0 17.6 31 42 A I H >< S+ 0 0 2 -4,-1.3 3,-0.7 -3,-0.4 -1,-0.2 0.954 116.4 45.9 -61.7 -50.1 36.7 52.9 20.8 32 43 A A H >< S+ 0 0 1 -4,-2.3 3,-1.5 1,-0.2 110,-0.3 0.949 111.9 50.9 -58.9 -50.3 40.0 52.7 18.8 33 44 A K H 3< S+ 0 0 88 -4,-3.9 -1,-0.2 1,-0.3 -2,-0.2 0.664 119.1 37.8 -64.1 -16.1 39.0 55.4 16.4 34 45 A H T XX S+ 0 0 78 -4,-1.0 4,-3.1 -3,-0.7 3,-0.5 0.101 74.7 124.0-123.6 24.9 38.1 57.8 19.2 35 46 A L H <> S+ 0 0 0 -3,-1.5 4,-2.9 1,-0.2 5,-0.3 0.900 73.0 55.0 -49.5 -49.4 40.7 57.0 21.8 36 47 A P H 3> S+ 0 0 20 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.890 116.2 39.4 -54.3 -39.7 41.9 60.6 22.1 37 48 A D H <> S+ 0 0 93 -3,-0.5 4,-2.8 2,-0.2 5,-0.3 0.953 115.3 47.3 -74.9 -55.5 38.4 61.6 22.9 38 49 A L H <>S+ 0 0 10 -4,-3.1 5,-2.5 -7,-0.2 6,-1.4 0.909 114.4 49.6 -55.4 -43.6 37.3 58.8 25.1 39 50 A I H ><5S+ 0 0 4 -4,-2.9 3,-1.6 -5,-0.3 -1,-0.2 0.984 113.1 44.9 -59.9 -56.4 40.5 59.0 27.1 40 51 A E H 3<5S+ 0 0 113 -4,-1.7 -2,-0.2 -5,-0.3 -1,-0.2 0.839 114.4 47.1 -57.0 -40.4 40.3 62.8 27.6 41 52 A S T 3<5S- 0 0 69 -4,-2.8 -1,-0.3 -5,-0.1 -2,-0.2 0.483 113.1-123.4 -80.6 -3.5 36.6 62.8 28.5 42 53 A G T < 5S+ 0 0 49 -3,-1.6 4,-0.2 -4,-0.4 -3,-0.2 0.826 82.2 109.9 68.1 31.2 37.4 60.0 30.9 43 54 A Q >< + 0 0 75 -5,-2.5 4,-2.3 -6,-0.2 -4,-0.2 0.414 45.7 93.7-115.4 3.0 35.0 57.5 29.4 44 55 A L H > S+ 0 0 5 -6,-1.4 4,-2.5 2,-0.2 3,-0.3 0.977 87.0 45.8 -54.9 -63.8 37.4 55.1 27.8 45 56 A R H > S+ 0 0 35 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.913 112.4 50.9 -47.7 -51.6 37.7 52.7 30.7 46 57 A E H > S+ 0 0 88 1,-0.2 4,-0.8 -4,-0.2 -1,-0.3 0.902 111.4 50.2 -56.1 -39.9 33.9 52.6 31.3 47 58 A R H >< S+ 0 0 85 -4,-2.3 3,-0.7 -3,-0.3 4,-0.4 0.910 108.6 49.0 -65.9 -42.9 33.5 51.9 27.6 48 59 A V H >< S+ 0 0 0 -4,-2.5 3,-1.9 1,-0.2 -2,-0.2 0.956 110.2 53.9 -58.6 -48.6 35.9 49.0 27.5 49 60 A E H 3< S+ 0 0 81 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.664 104.3 54.5 -60.8 -19.1 34.2 47.6 30.5 50 61 A K T << S+ 0 0 146 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.480 84.9 118.2 -93.7 -4.4 30.8 47.7 28.8 51 62 A L < - 0 0 13 -3,-1.9 2,-0.3 -4,-0.4 44,-0.1 -0.274 63.3-130.7 -63.9 148.2 32.1 45.7 25.9 52 63 A N - 0 0 111 43,-0.1 2,-0.9 44,-0.0 -1,-0.1 -0.743 34.9-100.3 -94.8 146.6 30.6 42.3 25.1 53 64 A M - 0 0 104 -2,-0.3 2,-0.2 45,-0.0 43,-0.1 -0.584 46.4-160.8 -72.0 107.0 33.2 39.5 24.6 54 65 A L - 0 0 17 -2,-0.9 2,-0.2 41,-0.6 -29,-0.1 -0.598 14.1-119.8 -89.4 150.8 33.4 39.2 20.8 55 66 A S - 0 0 41 -2,-0.2 3,-0.4 1,-0.1 -1,-0.1 -0.599 6.1-146.8 -88.4 152.2 34.7 36.2 19.0 56 67 A I S > S+ 0 0 11 -2,-0.2 3,-2.3 1,-0.2 -1,-0.1 0.481 77.2 97.6 -94.8 -3.2 37.7 36.5 16.7 57 68 A D T 3 S+ 0 0 117 1,-0.3 -1,-0.2 3,-0.0 -2,-0.0 0.695 74.5 63.8 -59.3 -20.8 36.5 33.8 14.3 58 69 A H T 3 S+ 0 0 95 -3,-0.4 2,-1.1 1,-0.1 -1,-0.3 0.399 78.8 90.3 -86.0 5.2 35.1 36.4 12.0 59 70 A L < + 0 0 1 -3,-2.3 -1,-0.1 1,-0.2 6,-0.0 -0.799 56.4 168.5-101.1 90.3 38.6 37.8 11.3 60 71 A T + 0 0 116 -2,-1.1 -1,-0.2 4,-0.0 2,-0.1 0.912 46.8 44.7 -73.0 -52.8 39.4 35.6 8.3 61 72 A D S > S- 0 0 73 1,-0.1 4,-1.3 0, 0.0 5,-0.1 -0.425 84.1-107.3 -94.8 172.9 42.6 36.8 6.6 62 73 A H H >> S+ 0 0 66 2,-0.2 4,-2.4 1,-0.2 3,-0.6 0.959 114.5 51.7 -61.1 -57.3 45.9 37.9 8.0 63 74 A K H 3> S+ 0 0 60 1,-0.3 4,-3.0 2,-0.2 -1,-0.2 0.898 109.7 49.8 -49.1 -47.2 45.5 41.6 7.3 64 75 A S H 3> S+ 0 0 3 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.847 111.2 51.2 -63.5 -30.4 42.2 41.7 9.1 65 76 A Q H < S- 0 0 6 -4,-2.6 3,-2.2 -5,-0.2 5,-0.4 0.639 86.0-174.6 -81.7 -17.0 47.5 53.7 31.3 82 93 A G T 3< S- 0 0 7 -4,-2.3 -1,-0.2 -5,-0.4 -2,-0.1 -0.301 73.8 -10.6 59.3-135.2 44.4 55.8 31.2 83 94 A K T 3 S- 0 0 104 4,-0.2 -1,-0.3 -44,-0.1 5,-0.1 0.512 99.7-120.8 -73.7 -2.4 45.1 59.6 30.8 84 95 A G S < S+ 0 0 15 -3,-2.2 -2,-0.2 3,-0.4 4,-0.1 0.930 80.0 117.9 63.9 50.2 48.6 58.5 31.6 85 96 A H S S- 0 0 162 -4,-0.4 3,-0.1 2,-0.2 -3,-0.1 0.391 98.6 -69.2-122.0 -4.2 49.2 60.5 34.7 86 97 A G S S+ 0 0 49 -5,-0.4 2,-1.0 1,-0.2 -4,-0.1 0.082 99.9 114.1 137.7 -24.8 49.8 57.7 37.2 87 98 A D + 0 0 104 -6,-0.2 -3,-0.4 2,-0.0 2,-0.3 -0.690 44.7 173.7 -82.4 105.4 46.4 56.1 37.5 88 99 A V - 0 0 28 -2,-1.0 2,-0.5 143,-0.1 -7,-0.2 -0.848 30.7-132.9-116.1 145.8 46.8 52.6 36.0 89 100 A R - 0 0 86 -9,-2.1 3,-0.0 -2,-0.3 -7,-0.0 -0.819 10.1-164.9 -94.5 133.1 44.6 49.6 35.8 90 101 A K S S+ 0 0 117 -2,-0.5 147,-1.9 1,-0.1 2,-0.4 0.489 72.3 61.1 -94.2 -5.4 46.2 46.3 36.9 91 102 A V E -b 237 0B 66 145,-0.2 147,-0.2 -11,-0.1 -1,-0.1 -0.980 69.7-147.1-130.1 125.5 43.6 44.1 35.4 92 103 A L E -b 238 0B 1 145,-2.6 147,-0.9 -2,-0.4 5,-0.0 -0.800 36.9-106.4 -93.1 118.5 42.5 43.9 31.7 93 104 A P >> - 0 0 14 0, 0.0 4,-3.5 0, 0.0 3,-2.1 -0.078 20.8-129.6 -43.0 128.8 38.7 43.1 31.4 94 105 A R H 3> S+ 0 0 119 1,-0.3 4,-1.8 2,-0.2 -2,-0.0 0.767 104.5 66.0 -55.0 -29.3 38.0 39.5 30.3 95 106 A N H 34 S+ 0 0 52 1,-0.2 -41,-0.6 2,-0.2 -1,-0.3 0.685 119.3 22.3 -68.2 -17.0 35.7 40.7 27.5 96 107 A I H <> S+ 0 0 0 -3,-2.1 4,-2.1 -43,-0.1 -2,-0.2 0.699 119.4 59.7-114.9 -42.1 38.7 42.3 25.8 97 108 A A H X S+ 0 0 0 -4,-3.5 4,-2.4 1,-0.2 -3,-0.2 0.851 103.8 53.5 -58.4 -38.1 41.6 40.4 27.3 98 109 A V H X S+ 0 0 11 -4,-1.8 4,-2.5 -5,-0.3 5,-0.3 0.993 110.4 40.9 -65.3 -62.2 40.3 37.1 25.9 99 110 A P H > S+ 0 0 0 0, 0.0 4,-3.0 0, 0.0 5,-0.3 0.915 116.9 52.6 -52.1 -43.2 39.8 37.9 22.2 100 111 A Y H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.934 111.3 44.6 -58.4 -48.2 43.1 39.8 22.3 101 112 A C H X S+ 0 0 2 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.813 114.2 49.5 -68.1 -29.2 45.0 36.8 23.8 102 113 A Q H X S+ 0 0 76 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.917 113.0 46.2 -74.9 -42.4 43.4 34.4 21.4 103 114 A L H X S+ 0 0 2 -4,-3.0 4,-2.0 -5,-0.3 -2,-0.2 0.895 113.2 51.6 -64.0 -40.8 44.2 36.5 18.4 104 115 A S H X>S+ 0 0 2 -4,-2.5 5,-1.9 -5,-0.3 4,-1.1 0.948 109.0 48.2 -61.3 -51.9 47.7 37.0 19.8 105 116 A K H ><5S+ 0 0 163 -4,-2.3 3,-0.8 1,-0.2 -1,-0.2 0.921 111.0 53.3 -57.0 -40.2 48.3 33.2 20.3 106 117 A K H 3<5S+ 0 0 111 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.871 114.4 39.7 -63.2 -37.1 47.0 32.7 16.7 107 118 A L H 3<5S- 0 0 15 -4,-2.0 -1,-0.2 -3,-0.2 -2,-0.2 0.463 111.0-121.3 -90.9 -1.5 49.4 35.3 15.3 108 119 A E T <<5S+ 0 0 120 -4,-1.1 -3,-0.2 -3,-0.8 -4,-0.1 0.873 72.3 119.7 63.0 42.2 52.2 34.1 17.5 109 120 A L < - 0 0 11 -5,-1.9 -1,-0.2 -6,-0.1 -2,-0.2 -0.959 69.5 -98.5-133.1 150.0 52.8 37.5 19.2 110 121 A P - 0 0 11 0, 0.0 2,-2.0 0, 0.0 4,-0.1 -0.276 42.9-102.9 -64.5 154.9 52.5 38.6 22.8 111 122 A P S S+ 0 0 4 0, 0.0 2,-0.3 0, 0.0 -10,-0.1 -0.484 89.7 84.5 -81.7 72.2 49.3 40.3 23.9 112 123 A I S S- 0 0 0 -2,-2.0 2,-0.1 -12,-0.1 -39,-0.1 -0.960 93.6 -74.9-164.6 152.6 50.5 43.8 24.0 113 124 A L - 0 0 0 -40,-0.4 2,-0.3 -2,-0.3 -43,-0.1 -0.350 57.5-171.6 -57.3 122.4 51.0 46.6 21.5 114 125 A V >> - 0 0 0 -2,-0.1 3,-2.5 137,-0.1 4,-1.9 -0.816 37.5-109.7-118.6 157.0 54.1 45.7 19.4 115 126 A Y H 3>>S+ 0 0 11 1,-0.3 4,-1.9 -2,-0.3 5,-1.1 0.914 120.0 60.2 -48.2 -49.3 56.1 47.6 16.8 116 127 A A H 345S+ 0 0 2 171,-0.4 5,-0.4 3,-0.2 -1,-0.3 0.706 112.4 43.1 -54.2 -18.8 54.8 45.3 14.1 117 128 A D H <>5S+ 0 0 0 -3,-2.5 4,-0.6 3,-0.2 -2,-0.2 0.927 118.3 34.6 -90.5 -66.6 51.4 46.7 15.2 118 129 A C H <5S+ 0 0 3 -4,-1.9 -2,-0.2 3,-0.2 -3,-0.2 0.443 136.3 17.7 -73.6 -1.1 51.7 50.5 15.7 119 130 A V T ><5S+ 0 0 2 -4,-1.9 3,-0.7 -5,-0.3 -3,-0.2 0.503 124.9 43.7-127.3 -72.5 54.2 51.0 12.9 120 131 A L T 34 S- 0 0 56 9,-0.4 3,-2.6 4,-0.2 -1,-0.3 -0.918 74.1-156.6-113.3 104.9 46.5 59.2 -2.5 128 139 A P T 3 S+ 0 0 97 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.725 93.8 54.4 -49.7 -27.3 46.8 55.6 -3.7 129 140 A N T 3 S+ 0 0 157 -3,-0.1 -3,-0.0 2,-0.0 -2,-0.0 0.286 98.0 79.7 -94.3 8.9 48.5 56.8 -6.9 130 141 A K S < S- 0 0 116 -3,-2.6 -5,-0.0 1,-0.2 0, 0.0 -0.686 86.1 -88.1-111.8 167.7 51.2 58.8 -5.2 131 142 A P - 0 0 93 0, 0.0 2,-1.5 0, 0.0 -4,-0.2 -0.017 44.8 -93.3 -66.6 174.4 54.6 57.7 -3.6 132 143 A L S S+ 0 0 34 -7,-0.1 2,-0.3 3,-0.0 5,-0.1 -0.671 71.8 142.1 -91.0 79.9 55.2 56.6 -0.1 133 144 A T > - 0 0 56 -2,-1.5 3,-1.4 1,-0.1 4,-0.1 -0.888 64.9-112.5-121.7 153.4 56.1 60.0 1.3 134 145 A Y G > S+ 0 0 22 -2,-0.3 3,-2.0 1,-0.3 -1,-0.1 0.908 118.3 55.9 -46.5 -48.9 55.3 61.5 4.7 135 146 A E G 3 S+ 0 0 116 1,-0.3 -1,-0.3 -3,-0.1 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40,-0.6 1,-0.3 41,-0.3 0.835 113.9 44.9 -41.1 -49.5 59.6 19.2 16.1 642 277 B L T 3<5S- 0 0 0 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.330 116.7-111.2 -84.2 7.7 56.5 17.9 17.9 643 278 B G T < 5 + 0 0 19 -3,-3.2 2,-0.6 1,-0.2 -3,-0.2 0.811 61.6 154.3 69.8 29.1 55.1 21.4 18.7 644 279 B I < - 0 0 7 -5,-3.4 2,-1.4 -6,-0.2 3,-0.3 -0.825 40.0-141.3 -91.7 123.6 55.7 21.2 22.4 645 280 B Q > + 0 0 127 -2,-0.6 3,-0.5 1,-0.2 9,-0.1 -0.396 47.2 144.1 -87.8 61.2 56.1 24.8 23.7 646 281 B Q T 3 S+ 0 0 11 -2,-1.4 -1,-0.2 1,-0.2 11,-0.2 0.902 77.1 48.9 -61.2 -39.6 58.8 24.4 26.3 647 282 B T T 3 S+ 0 0 28 -3,-0.3 -1,-0.2 10,-0.1 -2,-0.1 0.610 92.2 96.5 -76.2 -18.3 60.2 27.8 25.3 648 283 B A < + 0 0 54 -3,-0.5 6,-0.2 2,-0.0 3,-0.2 -0.336 65.1 37.1 -77.0 158.4 56.9 29.7 25.4 649 284 B G S S- 0 0 49 1,-0.1 -403,-0.0 5,-0.1 -3,-0.0 -0.284 86.8 -94.0 93.4 176.2 55.7 31.8 28.4 650 285 B G S S+ 0 0 47 -2,-0.1 -1,-0.1 4,-0.1 5,-0.1 0.365 78.9 131.6-108.9 1.1 57.6 34.0 30.8 651 286 B G S > S- 0 0 42 -3,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.004 71.5-111.0 -54.9 156.8 58.0 31.2 33.3 652 287 B H H > S+ 0 0 131 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.866 116.0 52.1 -56.0 -42.3 61.3 30.2 34.9 653 288 B A H > S+ 0 0 15 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.964 110.3 47.1 -61.3 -54.2 61.4 26.9 33.0 654 289 B A H > S+ 0 0 6 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.897 110.6 52.1 -55.6 -45.8 61.0 28.5 29.6 655 290 B Q H X S+ 0 0 124 -4,-2.3 4,-3.0 1,-0.2 -1,-0.2 0.923 109.3 51.1 -58.2 -44.8 63.6 31.2 30.3 656 291 B F H X S+ 0 0 64 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.931 112.4 44.1 -59.4 -49.7 66.1 28.6 31.3 657 292 B L H X S+ 0 0 13 -4,-2.3 4,-0.6 2,-0.2 -1,-0.2 0.844 114.7 49.4 -66.2 -33.5 65.6 26.4 28.2 658 293 B Q H >< S+ 0 0 56 -4,-2.4 3,-1.0 -5,-0.2 4,-0.3 0.937 112.3 49.4 -70.0 -42.0 65.7 29.5 25.9 659 294 B D H >< S+ 0 0 34 -4,-3.0 3,-2.3 1,-0.2 4,-0.3 0.890 100.7 63.3 -62.6 -42.5 68.8 30.7 27.7 660 295 B M H >< S+ 0 0 2 -4,-2.5 3,-1.6 1,-0.3 -1,-0.2 0.717 86.7 71.9 -57.5 -22.6 70.6 27.3 27.3 661 296 B R G X< S+ 0 0 23 -3,-1.0 3,-1.4 -4,-0.6 -1,-0.3 0.761 86.4 66.6 -66.6 -20.0 70.5 27.6 23.5 662 297 B R G < S+ 0 0 43 -3,-2.3 -1,-0.3 -4,-0.3 -2,-0.2 0.739 98.7 53.7 -69.3 -21.4 73.2 30.3 24.0 663 298 B Y G < S+ 0 0 1 -3,-1.6 -171,-0.4 -4,-0.3 -1,-0.3 0.275 91.5 93.4 -95.2 7.2 75.4 27.5 25.2 664 299 B M S < S- 0 0 2 -3,-1.4 5,-0.1 1,-0.1 -32,-0.1 -0.739 92.9 -88.0-101.3 150.7 74.9 25.3 22.2 665 300 B P >> - 0 0 13 0, 0.0 4,-2.1 0, 0.0 3,-0.7 -0.278 41.5-117.4 -53.8 139.1 77.2 25.4 19.2 666 301 B P H 3> S+ 0 0 28 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.897 114.5 55.1 -45.6 -48.2 76.1 28.1 16.7 667 302 B A H 3> S+ 0 0 10 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.907 109.4 48.7 -54.0 -42.7 75.4 25.5 14.0 668 303 B H H <> S+ 0 0 6 -3,-0.7 4,-2.3 2,-0.2 -1,-0.2 0.895 108.4 49.7 -67.9 -41.4 73.1 23.6 16.4 669 304 B R H X S+ 0 0 54 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.867 109.0 55.1 -68.0 -27.7 71.1 26.5 17.6 670 305 B N H X S+ 0 0 22 -4,-2.3 4,-2.4 -5,-0.3 -1,-0.2 0.887 106.5 51.9 -67.8 -35.1 70.6 27.4 13.9 671 306 B F H X S+ 0 0 9 -4,-1.6 4,-1.7 -5,-0.2 -2,-0.2 0.946 107.8 51.2 -63.8 -47.9 69.3 23.9 13.4 672 307 B L H X S+ 0 0 0 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.908 113.6 44.6 -57.4 -42.8 66.8 24.3 16.3 673 308 B a H X S+ 0 0 22 -4,-2.2 4,-1.0 1,-0.2 -1,-0.2 0.860 105.6 58.6 -73.8 -33.2 65.5 27.6 14.9 674 309 B S H < S+ 0 0 22 -4,-2.4 3,-0.4 1,-0.2 -1,-0.2 0.863 106.1 53.0 -62.9 -31.2 65.3 26.3 11.3 675 310 B L H >< S+ 0 0 9 -4,-1.7 3,-1.9 1,-0.2 -1,-0.2 0.906 101.6 58.1 -67.8 -41.7 62.9 23.7 12.7 676 311 B E H 3< S+ 0 0 92 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.724 101.9 56.1 -61.2 -23.0 60.8 26.3 14.4 677 312 B S T 3< S+ 0 0 40 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.436 90.3 93.3 -89.5 -1.8 60.1 28.0 11.0 678 313 B N S < S- 0 0 64 -3,-1.9 3,-0.1 -4,-0.2 2,-0.1 -0.503 91.7 -84.8 -87.4 162.5 58.8 24.8 9.5 679 314 B P - 0 0 85 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.383 55.5 -92.2 -66.4 145.3 55.0 24.0 9.4 680 315 B S > - 0 0 49 1,-0.2 4,-2.1 -4,-0.1 5,-0.1 -0.410 25.1-162.7 -66.6 117.3 53.6 22.3 12.5 681 316 B V H > S+ 0 0 1 -40,-0.6 4,-2.7 -2,-0.4 5,-0.2 0.881 94.7 54.8 -60.3 -39.2 53.6 18.5 12.5 682 317 B R H > S+ 0 0 51 -41,-0.3 4,-2.4 2,-0.2 5,-0.2 0.956 107.2 46.3 -62.4 -51.2 51.1 18.7 15.4 683 318 B E H > S+ 0 0 114 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.889 113.5 52.5 -59.5 -36.1 48.6 21.0 13.5 684 319 B F H < S+ 0 0 26 -4,-2.1 4,-0.2 2,-0.2 -2,-0.2 0.956 110.1 45.2 -62.1 -56.0 48.9 18.7 10.5 685 320 B V H ><>S+ 0 0 0 -4,-2.7 3,-0.9 1,-0.2 5,-0.5 0.856 113.8 51.3 -58.5 -37.0 48.2 15.5 12.4 686 321 B L H 3<5S+ 0 0 72 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.888 102.1 60.4 -67.4 -39.6 45.3 17.2 14.1 687 322 B S T 3<5S+ 0 0 74 -4,-2.1 2,-0.3 -5,-0.2 -1,-0.2 0.388 96.3 66.9 -71.7 3.5 43.7 18.4 10.9 688 323 B K T < 5S- 0 0 69 -3,-0.9 2,-2.6 -4,-0.2 -1,-0.2 -0.586 83.4-134.9-124.2 78.8 43.3 15.0 9.5 689 324 B G T 5 + 0 0 86 -2,-0.3 2,-0.6 -3,-0.1 -3,-0.1 0.324 61.5 138.4 -23.7 56.8 40.7 12.8 11.3 690 325 B D >< - 0 0 30 -2,-2.6 4,-2.2 -5,-0.5 3,-0.2 -0.875 39.0-170.6-121.9 99.9 43.4 9.9 11.0 691 326 B A H > S+ 0 0 41 -2,-0.6 4,-3.0 1,-0.2 5,-0.3 0.903 86.1 62.0 -52.0 -49.0 43.8 7.8 14.2 692 327 B G H > S+ 0 0 23 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.929 109.8 40.2 -43.2 -57.2 46.9 6.1 12.7 693 328 B L H > S+ 0 0 1 -3,-0.2 4,-3.1 2,-0.2 5,-0.2 0.933 112.6 52.5 -60.3 -52.1 48.7 9.5 12.6 694 329 B R H X S+ 0 0 87 -4,-2.2 4,-3.1 -9,-0.2 53,-0.2 0.944 113.1 47.0 -50.1 -50.1 47.5 10.9 15.9 695 330 B E H X S+ 0 0 125 -4,-3.0 4,-2.9 1,-0.2 -1,-0.2 0.922 111.4 49.3 -59.2 -47.7 48.7 7.7 17.6 696 331 B A H X S+ 0 0 3 -4,-2.5 4,-1.3 -5,-0.3 -1,-0.2 0.893 113.3 48.8 -59.5 -38.5 52.1 7.7 15.9 697 332 B Y H X S+ 0 0 0 -4,-3.1 4,-1.8 2,-0.2 3,-0.5 0.937 110.3 49.2 -66.2 -46.7 52.4 11.3 16.9 698 333 B D H X S+ 0 0 21 -4,-3.1 4,-4.2 -5,-0.2 5,-0.3 0.908 101.6 66.3 -59.0 -39.0 51.4 10.5 20.5 699 334 B A H X S+ 0 0 22 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.897 104.0 44.3 -47.3 -47.6 54.0 7.7 20.4 700 335 B C H X S+ 0 0 0 -4,-1.3 4,-1.4 -3,-0.5 -1,-0.2 0.911 115.0 46.7 -66.7 -44.7 56.7 10.3 20.1 701 336 B V H X S+ 0 0 0 -4,-1.8 4,-2.1 1,-0.2 3,-0.4 0.928 110.6 53.6 -63.9 -42.0 55.3 12.5 22.8 702 337 B K H X S+ 0 0 109 -4,-4.2 4,-2.5 1,-0.2 -1,-0.2 0.915 104.7 56.4 -58.1 -41.1 54.8 9.5 25.0 703 338 B A H X S+ 0 0 4 -4,-2.0 4,-2.0 -5,-0.3 -1,-0.2 0.860 106.3 49.6 -60.3 -37.0 58.5 8.7 24.5 704 339 B L H X S+ 0 0 2 -4,-1.4 4,-2.9 -3,-0.4 5,-0.2 0.933 110.3 47.6 -69.0 -46.3 59.6 12.1 25.8 705 340 B V H X S+ 0 0 14 -4,-2.1 4,-3.8 1,-0.2 5,-0.3 0.932 110.3 54.9 -61.0 -41.0 57.6 12.0 28.9 706 341 B S H X S+ 0 0 39 -4,-2.5 4,-2.5 -5,-0.2 -1,-0.2 0.927 110.3 45.8 -56.0 -46.5 58.9 8.5 29.5 707 342 B L H X S+ 0 0 2 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.926 116.4 44.5 -61.5 -47.5 62.4 9.8 29.3 708 343 B R H X S+ 0 0 32 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.925 111.1 52.5 -65.2 -44.6 61.7 12.8 31.5 709 344 B S H X S+ 0 0 31 -4,-3.8 4,-1.6 1,-0.2 -1,-0.2 0.943 112.7 46.4 -57.0 -45.3 59.8 10.7 34.0 710 345 B Y H X S+ 0 0 28 -4,-2.5 4,-1.9 -5,-0.3 -1,-0.2 0.911 108.0 56.9 -61.9 -41.8 62.8 8.4 34.2 711 346 B H H X S+ 0 0 68 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.879 103.8 54.2 -54.9 -41.7 65.1 11.4 34.4 712 347 B L H X S+ 0 0 18 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.924 105.1 51.2 -59.8 -48.0 63.2 12.5 37.5 713 348 B Q H X S+ 0 0 125 -4,-1.6 4,-2.2 1,-0.2 -1,-0.2 0.890 110.9 52.3 -56.1 -39.0 63.7 9.2 39.2 714 349 B I H X S+ 0 0 13 -4,-1.9 4,-3.1 2,-0.2 -2,-0.2 0.892 108.4 47.2 -64.5 -45.6 67.4 9.7 38.4 715 350 B V H X>S+ 0 0 10 -4,-2.3 4,-1.8 2,-0.2 5,-1.2 0.932 109.2 56.1 -63.6 -44.2 67.6 13.1 39.9 716 351 B T H ><>S+ 0 0 58 -4,-2.8 5,-2.6 1,-0.2 3,-0.5 0.953 115.4 37.8 -49.0 -56.0 65.8 11.8 43.0 717 352 B K H 3<5S+ 0 0 73 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.861 123.1 40.6 -66.0 -41.4 68.6 9.1 43.4 718 353 B Y H 3<5S+ 0 0 6 -4,-3.1 -1,-0.2 -5,-0.1 -2,-0.2 0.403 134.2 6.1 -94.5 4.3 71.5 11.3 42.3 719 354 B I T 44 S+ 0 0 14 0, 0.0 3,-1.1 0, 0.0 -1,-0.2 0.843 109.7 53.9 -53.1 -35.9 72.5 12.5 48.5 723 358 B A H 3< S+ 0 0 60 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.690 99.2 63.1 -73.4 -18.6 71.7 16.0 49.5 724 359 B S T << 0 0 92 -3,-1.7 -1,-0.2 -4,-0.9 -3,-0.1 0.313 360.0 360.0 -89.5 11.0 69.6 14.8 52.5 725 360 B Q < 0 0 186 -3,-1.1 -2,-0.1 -4,-0.2 -4,-0.0 -0.018 360.0 360.0-145.9 360.0 72.6 13.2 54.2 726 ! 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 0.0 727 380 B G > 0 0 89 0, 0.0 3,-1.3 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 -81.6 65.6 25.1 48.5 728 381 B G T 3> + 0 0 56 1,-0.3 4,-0.6 2,-0.1 -5,-0.1 0.055 360.0 88.8 -80.3 27.7 66.7 22.5 46.0 729 382 B T H 3> + 0 0 80 2,-0.2 4,-2.7 1,-0.2 -1,-0.3 0.618 67.2 75.0 -95.1 -19.9 63.0 21.8 45.2 730 383 B D H <> S+ 0 0 108 -3,-1.3 4,-2.2 1,-0.2 -1,-0.2 0.830 93.3 60.0 -58.1 -28.3 63.0 24.4 42.6 731 384 B L H > S+ 0 0 57 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.986 105.3 42.4 -61.8 -60.6 64.9 21.7 40.8 732 385 B M H X S+ 0 0 20 -4,-0.6 4,-2.8 1,-0.2 -2,-0.2 0.871 114.7 51.5 -55.1 -40.7 62.1 19.2 41.0 733 386 B N H X S+ 0 0 89 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.875 108.8 51.2 -66.9 -37.2 59.5 21.8 40.1 734 387 B F H X S+ 0 0 27 -4,-2.2 4,-2.3 -5,-0.2 3,-0.3 0.984 113.6 43.4 -61.1 -58.7 61.5 22.9 37.0 735 388 B L H X S+ 0 0 23 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.916 114.6 50.4 -52.4 -47.9 61.8 19.3 35.8 736 389 B K H X S+ 0 0 111 -4,-2.8 4,-3.3 -5,-0.2 -1,-0.2 0.831 107.9 53.5 -62.3 -33.8 58.2 18.5 36.5 737 390 B T H X S+ 0 0 71 -4,-2.0 4,-2.8 -3,-0.3 -1,-0.2 0.943 111.2 45.1 -66.5 -47.2 57.0 21.7 34.7 738 391 B V H X S+ 0 0 9 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.941 115.8 47.4 -60.4 -46.5 58.9 20.7 31.6 739 392 B R H X S+ 0 0 80 -4,-2.9 4,-2.3 -5,-0.2 3,-0.4 0.958 111.8 50.3 -58.1 -52.1 57.6 17.1 31.9 740 393 B S H X S+ 0 0 44 -4,-3.3 4,-2.6 1,-0.3 -1,-0.2 0.892 106.9 54.3 -54.1 -44.9 54.1 18.4 32.5 741 394 B T H X S+ 0 0 39 -4,-2.8 4,-0.6 1,-0.2 -1,-0.3 0.887 108.6 50.5 -59.9 -36.4 54.3 20.6 29.4 742 395 B T H >< S+ 0 0 0 -4,-1.8 3,-1.2 -3,-0.4 4,-0.3 0.935 109.7 48.5 -65.0 -49.5 55.3 17.5 27.4 743 396 B E H >< S+ 0 0 89 -4,-2.3 3,-2.8 1,-0.3 -2,-0.2 0.929 102.8 62.6 -56.8 -46.5 52.4 15.4 28.7 744 397 B K H 3< S+ 0 0 151 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.718 93.6 65.8 -52.7 -22.7 49.9 18.2 27.9 745 398 B S T << S+ 0 0 13 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.645 73.2 115.9 -77.7 -13.0 50.8 17.9 24.3 746 399 B L < - 0 0 26 -3,-2.8 3,-0.1 -4,-0.3 -48,-0.0 -0.226 61.1-147.9 -56.1 144.4 49.4 14.4 24.0 747 400 B L S S- 0 0 41 -53,-0.2 2,-0.2 -52,-0.1 -1,-0.2 0.792 75.6 -7.0 -84.4 -21.1 46.4 14.3 21.6 748 401 B K S S+ 0 0 155 -54,-0.1 -2,-0.1 1,-0.1 -1,-0.0 -0.681 78.3 90.7-152.4-167.7 44.9 11.5 23.8 749 402 B E 0 0 129 -2,-0.2 -1,-0.1 -3,-0.1 -3,-0.1 0.945 360.0 360.0 68.3 54.4 45.0 9.0 26.8 750 403 B G 0 0 151 -4,-0.0 -2,-0.0 0, 0.0 -4,-0.0 0.991 360.0 360.0 -69.5 360.0 43.6 10.9 29.7