==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 18-JAN-08 2ZG6 . COMPND 2 MOLECULE: PUTATIVE UNCHARACTERIZED PROTEIN ST2620; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS TOKODAII; . AUTHOR B.PADMANABHAN,Y.BESSHO,S.YOKOYAMA,RIKEN STRUCTURAL . 405 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19225.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 279 68.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 47 11.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 3.0 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 . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 29 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 125 30.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 3.0 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 0 0 0 2 6 2 5 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 1 1 4 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 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 2 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 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 1 A X 0 0 151 0, 0.0 3,-0.1 0, 0.0 203,-0.0 0.000 360.0 360.0 360.0 121.1 12.0 19.8 58.7 2 2 A K + 0 0 105 1,-0.2 2,-0.7 2,-0.0 202,-0.1 0.964 360.0 53.3 -54.6 -51.1 11.4 23.2 57.1 3 3 A Y + 0 0 6 1,-0.1 150,-0.2 197,-0.1 -1,-0.2 -0.771 57.4 177.3-100.5 115.6 8.4 21.8 55.0 4 4 A K + 0 0 120 148,-1.7 105,-2.1 -2,-0.7 2,-0.3 0.685 65.4 25.7 -79.1 -23.8 5.7 20.0 56.9 5 5 A A E -ab 109 153A 0 147,-0.9 149,-2.0 103,-0.3 2,-0.4 -0.968 56.6-146.5-151.3 149.9 3.4 19.3 54.0 6 6 A V E -ab 110 154A 0 103,-2.4 105,-1.8 -2,-0.3 2,-0.4 -0.997 12.5-157.8-126.3 128.7 3.1 18.8 50.2 7 7 A L E -ab 111 155A 2 147,-3.6 149,-3.0 -2,-0.4 2,-0.4 -0.915 15.2-167.2-103.5 136.0 0.1 19.9 48.2 8 8 A V E -ab 112 156A 0 103,-2.4 105,-2.6 -2,-0.4 149,-0.2 -0.967 14.7-135.9-131.1 139.5 -0.4 18.1 44.9 9 9 A D - 0 0 14 147,-1.9 5,-0.2 -2,-0.4 105,-0.2 -0.227 15.0-139.9 -75.5 176.5 -2.5 18.8 41.9 10 10 A F S >>>S+ 0 0 7 103,-0.4 4,-2.2 3,-0.2 5,-1.7 0.805 73.5 59.5-108.7 -76.3 -4.5 16.0 40.2 11 11 A G B 345S+e 15 0B 18 1,-0.3 147,-0.3 2,-0.2 5,-0.2 -0.238 121.1 4.8 -63.0 144.5 -4.5 16.2 36.3 12 12 A N T 345S+ 0 0 6 3,-1.7 167,-0.4 1,-0.2 -1,-0.3 0.406 132.1 62.7 59.2 1.5 -1.1 16.1 34.6 13 13 A T T <45S- 0 0 0 -3,-1.7 -2,-0.2 2,-0.5 -1,-0.2 0.755 124.1 -3.5-111.6 -67.8 0.3 15.5 38.1 14 14 A L T <5S+ 0 0 0 -4,-2.2 79,-1.9 1,-0.3 2,-0.4 0.837 135.5 30.4 -91.9 -43.4 -0.9 12.3 39.6 15 15 A V E < -eF 11 92B 0 -5,-1.7 -3,-1.7 77,-0.2 -2,-0.5 -0.948 68.3-153.9-127.9 136.0 -3.3 11.2 36.8 16 16 A G E - F 0 91B 0 75,-2.6 75,-2.3 -2,-0.4 2,-0.4 -0.641 5.6-152.5-101.5 165.3 -3.3 11.8 33.0 17 17 A F E + F 0 90B 4 25,-0.4 29,-0.4 73,-0.2 73,-0.2 -0.993 15.5 170.8-137.6 143.8 -6.1 11.9 30.5 18 18 A K E - F 0 89B 45 71,-1.8 71,-2.0 -2,-0.4 24,-0.1 -0.989 42.1 -94.6-144.3 156.1 -6.1 11.2 26.9 19 19 A P E > - F 0 88B 0 0, 0.0 3,-1.0 0, 0.0 69,-0.3 -0.406 36.4-124.6 -66.4 148.5 -8.8 10.8 24.2 20 20 A V T 3 S+ 0 0 51 67,-3.2 2,-0.9 64,-0.3 3,-0.2 0.953 113.6 41.7 -60.7 -45.9 -9.7 7.1 23.8 21 21 A F T 3> S+ 0 0 115 66,-0.4 4,-1.9 62,-0.3 -1,-0.3 -0.477 75.8 152.5 -97.9 63.7 -8.9 7.3 20.1 22 22 A Y H <> + 0 0 81 -3,-1.0 4,-2.8 -2,-0.9 -1,-0.2 0.782 68.0 56.3 -64.0 -31.6 -5.7 9.4 20.6 23 23 A E H > S+ 0 0 104 -3,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.897 109.3 47.8 -74.1 -32.5 -4.0 8.2 17.4 24 24 A K H > S+ 0 0 120 -3,-0.3 4,-1.9 2,-0.2 -2,-0.2 0.892 112.1 48.0 -68.7 -45.6 -7.1 9.3 15.5 25 25 A V H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 5,-0.2 0.935 112.2 51.6 -58.1 -45.3 -7.1 12.7 17.2 26 26 A Y H X S+ 0 0 45 -4,-2.8 4,-2.2 1,-0.2 10,-0.3 0.916 109.7 49.2 -55.7 -45.5 -3.4 12.9 16.5 27 27 A Q H X S+ 0 0 72 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.833 108.8 52.6 -69.5 -31.2 -4.0 12.1 12.8 28 28 A V H X S+ 0 0 6 -4,-1.9 4,-1.4 2,-0.2 -1,-0.2 0.911 109.7 47.3 -70.5 -43.3 -6.7 14.8 12.5 29 29 A L H <>S+ 0 0 0 -4,-2.1 5,-2.7 2,-0.2 3,-0.5 0.949 113.7 48.9 -59.1 -50.8 -4.6 17.6 13.9 30 30 A K H ><5S+ 0 0 87 -4,-2.2 3,-2.5 1,-0.3 -2,-0.2 0.941 107.0 55.0 -56.6 -50.6 -1.7 16.5 11.6 31 31 A D H 3<5S+ 0 0 91 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.784 107.4 51.0 -53.5 -31.6 -4.0 16.4 8.6 32 32 A N T 3<5S- 0 0 29 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.135 132.4 -91.6 -92.9 19.8 -5.0 20.0 9.3 33 33 A G T < 5S+ 0 0 64 -3,-2.5 2,-0.6 1,-0.1 -3,-0.2 0.673 93.5 113.9 82.1 20.5 -1.4 21.1 9.5 34 34 A Y < - 0 0 86 -5,-2.7 2,-1.0 -6,-0.1 -2,-0.2 -0.842 41.3-173.0-121.6 97.2 -0.6 20.7 13.2 35 35 A D + 0 0 87 -2,-0.6 2,-0.4 -5,-0.1 -8,-0.1 -0.784 21.7 156.9 -90.7 103.4 1.9 17.9 13.7 36 36 A L - 0 0 8 -2,-1.0 -6,-0.1 -10,-0.3 -7,-0.1 -0.960 39.2-120.4-122.1 142.4 2.1 17.6 17.5 37 37 A D >> - 0 0 81 -2,-0.4 4,-1.4 1,-0.1 3,-0.7 -0.243 33.5 -97.7 -80.3 177.5 3.2 14.5 19.2 38 38 A L H 3> S+ 0 0 50 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.782 118.7 63.1 -73.2 -28.5 1.0 12.6 21.6 39 39 A R H 3> S+ 0 0 104 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.884 105.5 48.7 -56.0 -40.8 2.4 14.1 24.8 40 40 A K H <> S+ 0 0 17 -3,-0.7 4,-1.7 2,-0.2 -2,-0.2 0.858 110.5 50.2 -71.7 -36.9 1.1 17.5 23.5 41 41 A V H X S+ 0 0 0 -4,-1.4 4,-2.1 2,-0.2 -2,-0.2 0.944 112.4 46.8 -61.1 -48.6 -2.3 16.0 22.8 42 42 A F H X S+ 0 0 25 -4,-2.8 4,-2.0 1,-0.2 -25,-0.4 0.848 108.8 55.2 -67.3 -38.1 -2.5 14.4 26.3 43 43 A R H X S+ 0 0 8 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.954 113.7 40.0 -56.0 -51.9 -1.3 17.6 28.0 44 44 A A H X S+ 0 0 0 -4,-1.7 4,-2.8 1,-0.2 -2,-0.2 0.809 111.2 57.5 -67.8 -38.4 -4.1 19.7 26.4 45 45 A Y H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.894 104.1 51.0 -67.0 -39.2 -6.7 17.0 26.8 46 46 A A H < S+ 0 0 11 -4,-2.0 4,-0.5 -29,-0.4 -1,-0.2 0.914 112.3 48.7 -63.6 -37.5 -6.3 16.8 30.6 47 47 A K H >< S+ 0 0 41 -4,-1.5 3,-1.4 1,-0.2 4,-0.3 0.913 108.1 53.1 -65.1 -43.0 -6.7 20.7 30.7 48 48 A A H >< S+ 0 0 0 -4,-2.8 3,-1.8 1,-0.2 12,-0.3 0.864 95.3 71.0 -59.3 -32.6 -9.8 20.4 28.5 49 49 A X G >< S+ 0 0 8 -4,-1.8 3,-0.6 1,-0.3 -1,-0.2 0.780 95.5 55.4 -50.9 -29.4 -11.1 17.9 31.1 50 50 A G G < S+ 0 0 48 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.537 98.8 57.1 -84.4 -10.8 -11.5 20.9 33.6 51 51 A X G < S+ 0 0 63 -3,-1.8 2,-0.5 -4,-0.3 -1,-0.2 0.293 74.8 116.0-105.0 10.9 -13.7 23.1 31.4 52 52 A I < - 0 0 32 -3,-0.6 2,-3.2 -4,-0.2 7,-0.1 -0.714 69.6-131.9 -87.9 124.1 -16.6 20.6 30.9 53 53 A N 0 0 109 -2,-0.5 -1,-0.1 1,-0.2 -3,-0.1 -0.121 360.0 360.0 -74.3 52.4 -19.8 21.9 32.5 54 54 A Y 0 0 124 -2,-3.2 -1,-0.2 3,-0.1 3,-0.1 0.956 360.0 360.0 28.3 360.0 -20.3 18.4 34.1 55 ! 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 56 60 A L 0 0 123 0, 0.0 63,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 64.4 -20.3 11.7 32.2 57 61 A E + 0 0 51 -3,-0.1 -3,-0.1 31,-0.1 30,-0.1 0.896 360.0 153.3 -96.0 -73.4 -16.8 13.3 31.8 58 62 A H - 0 0 58 28,-0.2 29,-0.2 1,-0.1 28,-0.2 0.818 37.4-131.2 54.6 77.6 -16.6 14.0 28.0 59 63 A V - 0 0 1 27,-0.4 -1,-0.1 26,-0.3 -10,-0.1 -0.105 13.9-125.1 -61.0 147.1 -14.4 16.9 26.7 60 64 A D > - 0 0 61 -12,-0.3 4,-1.5 1,-0.1 3,-0.3 -0.762 15.7-136.5 -86.2 133.0 -15.7 19.5 24.2 61 65 A P H > S+ 0 0 9 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.719 102.2 57.3 -67.0 -22.1 -13.4 19.8 21.1 62 66 A K H > S+ 0 0 117 2,-0.2 4,-2.7 1,-0.2 5,-0.1 0.891 105.2 50.8 -74.9 -41.5 -13.4 23.6 21.1 63 67 A D H > S+ 0 0 34 -3,-0.3 4,-2.4 2,-0.2 5,-0.2 0.870 109.5 51.9 -55.7 -38.3 -12.0 23.6 24.7 64 68 A F H X S+ 0 0 0 -4,-1.5 4,-1.2 2,-0.2 -2,-0.2 0.933 112.1 44.5 -70.9 -41.4 -9.3 21.2 23.5 65 69 A L H X>S+ 0 0 0 -4,-1.8 5,-2.7 2,-0.2 4,-1.1 0.898 110.2 56.6 -62.5 -42.9 -8.3 23.5 20.6 66 70 A Y H ><5S+ 0 0 35 -4,-2.7 3,-1.5 1,-0.2 306,-0.2 0.960 107.5 47.1 -53.9 -54.4 -8.5 26.6 22.9 67 71 A I H 3<5S+ 0 0 0 -4,-2.4 305,-2.3 1,-0.3 -1,-0.2 0.848 111.6 52.6 -59.1 -29.4 -6.0 25.1 25.2 68 72 A L H 3<5S- 0 0 0 -4,-1.2 -1,-0.3 303,-0.2 -2,-0.2 0.675 112.6-120.3 -81.9 -13.2 -3.9 24.2 22.2 69 73 A G T <<5 + 0 0 35 -3,-1.5 2,-0.4 -4,-1.1 -3,-0.2 0.724 68.4 138.0 79.8 24.0 -4.0 27.8 20.9 70 74 A I < - 0 0 9 -5,-2.7 -1,-0.3 -6,-0.1 -2,-0.1 -0.816 58.2-113.6-112.0 142.9 -5.6 26.5 17.7 71 75 A Y - 0 0 154 -2,-0.4 2,-3.1 1,-0.1 5,-0.1 -0.556 30.3-114.8 -80.9 130.5 -8.5 28.2 15.9 72 76 A P - 0 0 39 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 -0.185 37.0-161.7 -60.9 53.9 -11.8 26.2 15.9 73 77 A S > - 0 0 37 -2,-3.1 4,-2.6 1,-0.1 5,-0.3 -0.062 27.3-123.3 -30.9 121.7 -12.0 25.6 12.1 74 78 A E H > S+ 0 0 144 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.901 115.2 41.5 -21.7 -58.4 -15.5 24.6 11.1 75 79 A R H > S+ 0 0 120 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.889 108.3 55.0 -73.2 -50.9 -13.8 21.5 9.7 76 80 A L H > S+ 0 0 1 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.923 109.8 49.4 -49.5 -49.0 -11.3 20.6 12.5 77 81 A V H X S+ 0 0 12 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.892 111.6 49.8 -60.5 -37.5 -14.1 20.6 15.0 78 82 A K H X S+ 0 0 132 -4,-1.2 4,-2.2 -5,-0.3 -2,-0.2 0.939 111.6 46.7 -66.6 -48.5 -16.1 18.3 12.7 79 83 A E H X S+ 0 0 41 -4,-3.0 4,-1.6 1,-0.2 -1,-0.2 0.823 111.0 52.4 -66.3 -28.9 -13.3 15.9 12.2 80 84 A L H <>S+ 0 0 0 -4,-2.1 5,-2.3 -5,-0.2 -1,-0.2 0.877 108.3 50.5 -74.5 -41.5 -12.5 15.8 16.0 81 85 A K H ><5S+ 0 0 139 -4,-2.1 3,-1.6 3,-0.2 -2,-0.2 0.902 110.7 50.3 -56.3 -42.8 -16.1 15.0 16.8 82 86 A E H 3<5S+ 0 0 135 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.874 104.7 57.5 -63.4 -35.3 -15.8 12.2 14.2 83 87 A A T 3<5S- 0 0 3 -4,-1.6 -1,-0.3 -5,-0.2 -62,-0.3 0.413 115.9-120.4 -75.7 -1.6 -12.7 11.1 16.0 84 88 A D T X 5 + 0 0 50 -3,-1.6 3,-2.5 1,-0.1 -64,-0.3 0.805 51.2 165.0 67.7 34.4 -14.8 10.8 19.1 85 89 A I T 3 < + 0 0 2 -5,-2.3 -26,-0.3 1,-0.3 -4,-0.1 0.770 63.7 71.2 -57.1 -26.0 -12.7 13.3 21.0 86 90 A R T 3 S+ 0 0 128 -6,-0.2 2,-0.8 -28,-0.2 -27,-0.4 0.707 83.3 82.2 -65.1 -18.5 -15.4 13.6 23.7 87 91 A D < + 0 0 45 -3,-2.5 -67,-3.2 -29,-0.2 -66,-0.4 -0.789 63.5 165.8 -91.9 114.3 -14.5 10.1 25.0 88 92 A G E -F 19 0B 10 -2,-0.8 2,-0.3 -69,-0.3 -30,-0.1 -0.629 23.7-147.5-116.9 177.1 -11.5 10.1 27.2 89 93 A E E -F 18 0B 70 -71,-2.0 -71,-1.8 -2,-0.2 2,-0.3 -0.992 12.1-132.8-141.4 151.9 -9.7 7.9 29.7 90 94 A A E -F 17 0B 16 -2,-0.3 2,-0.3 -73,-0.2 -73,-0.2 -0.759 22.3-174.7 -93.3 145.0 -7.7 8.4 32.9 91 95 A F E -F 16 0B 49 -75,-2.3 -75,-2.6 -2,-0.3 2,-0.4 -0.996 22.8-124.7-136.0 147.6 -4.4 6.7 33.4 92 96 A L E -F 15 0B 48 -2,-0.3 -77,-0.2 -77,-0.2 2,-0.1 -0.728 28.9-118.0 -87.5 134.3 -2.2 6.7 36.5 93 97 A Y > - 0 0 24 -79,-1.9 3,-1.1 -2,-0.4 4,-0.4 -0.481 24.3-118.7 -66.3 144.5 1.5 7.8 36.1 94 98 A D T 3 S+ 0 0 155 1,-0.2 4,-0.3 2,-0.1 -1,-0.1 0.624 111.1 45.6 -44.1 -29.7 4.0 5.1 36.9 95 99 A D T 3> S+ 0 0 19 1,-0.1 4,-2.4 2,-0.1 -1,-0.2 0.525 86.8 93.1-107.6 -2.6 5.6 7.0 39.6 96 100 A T H <> S+ 0 0 0 -3,-1.1 4,-2.3 2,-0.2 5,-0.2 0.900 86.7 41.1 -62.3 -59.9 2.4 8.2 41.4 97 101 A L H > S+ 0 0 67 -4,-0.4 4,-2.8 1,-0.2 5,-0.3 0.927 117.8 50.7 -52.8 -45.2 1.9 5.5 44.1 98 102 A E H > S+ 0 0 136 -4,-0.3 4,-2.1 1,-0.2 -2,-0.2 0.885 111.0 48.1 -61.6 -41.0 5.6 5.4 44.8 99 103 A F H X S+ 0 0 6 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.924 114.5 44.0 -65.6 -47.7 5.8 9.2 45.2 100 104 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 5,-0.3 0.965 115.0 47.7 -67.8 -52.1 2.8 9.5 47.5 101 105 A E H X S+ 0 0 116 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.883 112.1 52.8 -50.7 -43.2 3.9 6.5 49.7 102 106 A G H < S+ 0 0 16 -4,-2.1 4,-0.5 -5,-0.3 -1,-0.2 0.903 111.4 43.0 -63.7 -45.6 7.4 7.9 49.8 103 107 A L H ><>S+ 0 0 0 -4,-2.2 5,-2.1 2,-0.2 3,-1.0 0.947 116.2 49.0 -65.4 -48.5 6.4 11.4 51.0 104 108 A K H ><5S+ 0 0 99 -4,-2.6 3,-1.3 1,-0.3 -2,-0.2 0.900 111.5 47.5 -57.6 -44.7 3.9 10.0 53.5 105 109 A S T 3<5S+ 0 0 87 -4,-2.6 -1,-0.3 -5,-0.3 -2,-0.2 0.585 107.4 59.2 -83.6 -0.9 6.3 7.5 55.0 106 110 A N T < 5S- 0 0 91 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.121 125.9 -93.8-110.9 17.2 8.9 10.3 55.3 107 111 A G T < 5S+ 0 0 55 -3,-1.3 2,-0.3 1,-0.3 -3,-0.2 0.577 78.4 135.3 94.6 13.1 6.8 12.4 57.5 108 112 A Y < - 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0 0 16 -5,-2.2 2,-0.3 -6,-0.1 -1,-0.3 -0.657 47.8-135.2 -83.5 142.1 5.0 45.7 22.5 314 113 B K E -h 210 0D 101 -105,-2.2 -103,-2.5 -2,-0.3 2,-0.4 -0.781 27.6-145.5 -86.8 146.3 1.3 44.9 22.1 315 114 B L E -h 211 0D 3 -2,-0.3 24,-2.3 22,-0.2 25,-1.4 -0.961 18.7-175.9-125.3 134.9 -0.4 45.0 25.5 316 115 B A E -hj 212 340D 0 -105,-1.9 -103,-2.2 -2,-0.4 2,-0.5 -0.963 17.6-141.9-121.8 141.3 -3.3 43.0 27.0 317 116 B L E -hj 213 341D 5 23,-2.1 25,-3.7 -2,-0.4 2,-0.6 -0.884 13.7-162.7-101.3 131.7 -4.9 43.5 30.4 318 117 B V E + j 0 342D 13 -105,-2.7 -103,-0.5 -2,-0.5 2,-0.3 -0.954 35.2 113.0-116.7 112.2 -5.9 40.3 32.2 319 118 B S - 0 0 13 23,-2.0 3,-0.1 -2,-0.6 29,-0.0 -0.966 46.7-123.8-161.3-178.0 -8.4 40.7 35.1 320 119 B N S S+ 0 0 118 -2,-0.3 5,-0.2 1,-0.2 -1,-0.1 0.206 73.7 56.8-105.6-134.9 -11.9 40.1 36.5 321 120 B A > - 0 0 45 1,-0.1 4,-2.2 -66,-0.1 5,-0.2 0.488 63.5-167.5 -4.1 80.1 -14.9 42.2 37.9 322 121 B S H > S+ 0 0 43 21,-0.3 4,-3.1 1,-0.2 5,-0.3 0.773 74.6 55.1 -68.9 -30.8 -15.3 44.3 34.8 323 122 B P H > S+ 0 0 94 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.992 115.0 42.6 -59.5 -56.5 -17.6 47.1 35.9 324 123 B R H > S+ 0 0 54 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.925 118.3 46.3 -40.4 -55.6 -15.1 48.0 38.8 325 124 B V H X S+ 0 0 4 -4,-2.2 4,-3.2 2,-0.2 -1,-0.2 0.884 110.9 50.2 -68.3 -41.1 -12.2 47.6 36.5 326 125 B K H X S+ 0 0 111 -4,-3.1 4,-2.7 2,-0.2 5,-0.2 0.947 109.6 51.9 -60.9 -50.6 -13.6 49.6 33.6 327 126 B T H X S+ 0 0 94 -4,-2.6 4,-3.4 -5,-0.3 -2,-0.2 0.926 114.4 43.9 -46.1 -50.5 -14.4 52.5 35.9 328 127 B L H X S+ 0 0 16 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.860 108.8 54.9 -73.8 -39.4 -10.8 52.4 37.2 329 128 B L H X>S+ 0 0 5 -4,-3.2 5,-2.6 2,-0.2 6,-0.8 0.923 114.5 43.5 -51.8 -45.6 -9.3 52.1 33.8 330 129 B E H ><5S+ 0 0 125 -4,-2.7 3,-1.0 3,-0.2 -2,-0.2 0.973 112.7 52.6 -61.7 -56.0 -11.2 55.2 32.9 331 130 B K H 3<5S+ 0 0 130 -4,-3.4 -2,-0.2 1,-0.3 -3,-0.2 0.889 118.4 33.6 -49.9 -48.8 -10.3 56.9 36.2 332 131 B F H 3<5S- 0 0 35 -4,-2.8 -1,-0.3 -5,-0.1 -2,-0.2 0.440 107.5-120.8 -95.2 2.7 -6.6 56.4 35.9 333 132 B D T <<5S+ 0 0 89 -3,-1.0 -3,-0.2 -4,-0.7 -4,-0.1 0.923 70.4 133.1 64.6 47.4 -6.6 56.8 32.1 334 133 B L > < + 0 0 0 -5,-2.6 3,-2.0 -6,-0.2 4,-0.3 0.730 44.6 82.9-100.2 -28.4 -5.1 53.3 31.5 335 134 B K G > S+ 0 0 76 -6,-0.8 3,-1.6 1,-0.3 -1,-0.1 0.781 78.4 66.7 -47.7 -40.9 -7.4 52.1 28.8 336 135 B K G 3 S+ 0 0 113 1,-0.3 -1,-0.3 -7,-0.2 -2,-0.1 0.685 94.3 60.7 -62.6 -17.1 -5.6 53.8 25.9 337 136 B Y G < S+ 0 0 19 -3,-2.0 2,-0.5 -4,-0.0 -1,-0.3 0.687 87.1 89.0 -82.9 -15.6 -2.5 51.6 26.4 338 137 B F < - 0 0 19 -3,-1.6 -22,-0.2 -4,-0.3 3,-0.1 -0.715 47.3-171.6 -97.9 127.1 -4.2 48.2 25.8 339 138 B D S S+ 0 0 73 -24,-2.3 2,-0.3 -2,-0.5 -23,-0.2 0.668 85.3 18.3 -74.7 -18.1 -4.6 46.4 22.5 340 139 B A E -j 316 0D 4 -25,-1.4 -23,-2.1 15,-0.0 2,-0.5 -0.988 61.0-153.5-154.5 145.2 -6.8 43.9 24.3 341 140 B L E -j 317 0D 61 -2,-0.3 2,-0.7 -25,-0.2 -23,-0.2 -0.993 4.0-169.1-115.2 121.2 -8.8 43.6 27.5 342 141 B A E j 318 0D 0 -25,-3.7 -23,-2.0 -2,-0.5 6,-0.1 -0.720 360.0 360.0-107.8 71.2 -9.3 40.0 28.8 343 142 B L 0 0 46 -2,-0.7 -21,-0.3 -25,-0.2 -1,-0.2 0.383 360.0 360.0 -90.8 360.0 -11.9 41.0 31.5 344 ! 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 0.0 345 153 B P > 0 0 109 0, 0.0 3,-1.4 0, 0.0 4,-0.4 0.000 360.0 360.0 360.0 166.7 -12.3 32.2 31.4 346 154 B K T >> + 0 0 39 1,-0.2 4,-1.1 2,-0.2 3,-0.8 0.674 360.0 79.7 -45.2 -28.0 -11.8 31.7 27.7 347 155 B I H >> S+ 0 0 74 1,-0.2 4,-2.5 2,-0.2 3,-1.0 0.903 83.6 64.7 -55.8 -37.3 -11.5 35.5 27.0 348 156 B F H <> S+ 0 0 59 -3,-1.4 4,-1.8 1,-0.3 -1,-0.2 0.868 101.5 47.7 -56.3 -40.4 -7.9 35.3 28.2 349 157 B G H <> S+ 0 0 11 -3,-0.8 4,-1.7 -4,-0.4 -1,-0.3 0.753 108.5 54.7 -73.0 -21.9 -6.9 33.1 25.3 350 158 B F H + 0 0 8 12,-3.3 3,-0.9 -2,-0.6 5,-0.1 -0.788 10.2 168.4-121.7 83.3 6.2 41.0 44.0 385 193 B R T 3 S+ 0 0 26 -2,-0.6 -1,-0.1 -168,-0.4 12,-0.1 0.767 76.4 44.5 -71.2 -24.0 5.7 44.6 45.2 386 194 B Y T 3 S- 0 0 16 -169,-0.1 -1,-0.2 -142,-0.1 -138,-0.1 0.185 109.5-109.9-114.9 17.0 5.2 43.8 48.9 387 195 B D S < S+ 0 0 73 -3,-0.9 -2,-0.1 1,-0.1 -142,-0.0 0.900 72.7 136.4 60.1 47.0 8.0 41.3 49.5 388 196 B F + 0 0 1 1,-0.2 -218,-2.9 -219,-0.1 3,-0.1 0.523 62.2 51.3 -96.7 -17.9 5.7 38.4 49.9 389 197 B Y > + 0 0 7 -220,-0.2 3,-1.5 1,-0.1 -1,-0.2 -0.472 54.2 152.9-121.2 63.6 7.6 35.8 47.9 390 198 B P T 3 S+ 0 0 48 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.701 72.6 60.7 -70.1 -13.5 11.1 35.8 49.2 391 199 B D T 3 S+ 0 0 87 -3,-0.1 2,-0.6 -221,-0.1 -2,-0.0 0.457 90.2 75.8 -92.8 -1.4 11.6 32.2 48.1 392 200 B V < - 0 0 31 -3,-1.5 3,-0.3 -219,-0.0 2,-0.2 -0.952 65.3-173.7 -99.2 115.1 11.0 32.9 44.3 393 201 B R + 0 0 234 -2,-0.6 3,-0.1 1,-0.2 -11,-0.1 -0.704 68.9 58.9-102.4 171.0 14.1 34.6 42.8 394 202 B D S S+ 0 0 101 1,-0.4 -12,-0.2 -2,-0.2 -1,-0.2 0.290 86.9 128.9 83.0 -7.8 14.0 35.9 39.3 395 203 B R - 0 0 71 -3,-0.3 -1,-0.4 -6,-0.1 2,-0.3 -0.341 51.7-141.3 -73.7 161.5 11.1 37.9 40.8 396 204 B V B -n 383 0F 6 -14,-2.7 -12,-3.3 -3,-0.1 3,-0.1 -0.925 13.2-159.6-122.7 154.6 11.0 41.7 40.4 397 205 B K S S+ 0 0 120 -2,-0.3 2,-0.3 -14,-0.2 -1,-0.1 0.592 74.7 30.5-104.2 -4.6 9.9 44.3 42.9 398 206 B N S > S- 0 0 20 -98,-0.0 4,-2.1 1,-0.0 -14,-0.1 -0.886 77.2-114.1-144.7 161.9 9.1 47.3 40.5 399 207 B L H > S+ 0 0 2 -2,-0.3 4,-2.7 2,-0.2 5,-0.1 0.674 119.5 61.0 -78.7 -17.2 7.9 47.8 37.0 400 208 B R H > S+ 0 0 169 2,-0.2 4,-2.5 3,-0.2 -1,-0.2 0.968 109.1 39.8 -65.1 -56.6 11.4 49.3 36.4 401 209 B E H > S+ 0 0 58 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.910 115.1 54.9 -53.0 -42.4 12.9 45.9 37.3 402 210 B A H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.935 108.6 47.2 -59.4 -47.2 10.0 44.3 35.4 403 211 B L H X S+ 0 0 41 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.915 112.1 49.7 -61.3 -43.1 10.9 46.4 32.3 404 212 B Q H X S+ 0 0 112 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.859 110.3 49.9 -66.5 -35.3 14.5 45.5 32.5 405 213 B K H X S+ 0 0 35 -4,-2.5 4,-2.9 2,-0.2 -1,-0.2 0.907 108.1 53.8 -66.7 -43.3 13.7 41.8 32.9 406 214 B I H X S+ 0 0 0 -4,-2.5 4,-0.8 -5,-0.2 -2,-0.2 0.923 110.0 48.4 -52.0 -41.2 11.5 42.1 29.8 407 215 B E H >< S+ 0 0 89 -4,-2.1 3,-0.6 2,-0.2 -2,-0.2 0.894 109.9 50.4 -74.7 -35.8 14.4 43.6 27.9 408 216 B E H 3< S+ 0 0 139 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.978 100.9 64.8 -58.4 -56.3 16.8 40.8 29.1 409 217 B X H 3< 0 0 52 -4,-2.9 -1,-0.2 -5,-0.1 -2,-0.2 0.639 360.0 360.0 -51.8 -20.8 14.3 38.1 28.0 410 218 B N << 0 0 69 -4,-0.8 -3,-0.1 -3,-0.6 -4,-0.0 -0.116 360.0 360.0-129.2 360.0 14.7 39.2 24.4