==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 16-FEB-03 1J3U . COMPND 2 MOLECULE: ASPARTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SP. YM55-1; . AUTHOR T.FUJII,H.SAKAI,Y.KAWATA,Y.HATA . 924 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36058.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 669 72.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 35 3.8 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 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 . 1 0.1 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 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 109 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 456 49.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 1.6 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 3 2 0 4 1 0 0 1 0 4 0 0 2 0 2 2 0 0 2 2 0 2 0 0 2 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 . 3 2 1 1 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 . 8 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 5 A V 0 0 107 0, 0.0 2,-0.3 0, 0.0 11,-0.0 0.000 360.0 360.0 360.0 177.4 7.3 16.8 -18.8 2 6 A R - 0 0 41 11,-0.3 11,-0.9 2,-0.0 2,-0.5 -0.961 360.0-130.7-161.4 152.1 6.6 20.2 -17.2 3 7 A I E +A 12 0A 91 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.955 20.3 179.2-119.7 125.9 8.5 22.6 -15.0 4 8 A E E -A 11 0A 13 7,-2.4 7,-2.2 -2,-0.5 2,-0.2 -0.987 23.6-134.9-123.9 121.3 7.1 24.1 -11.8 5 9 A K E -A 10 0A 78 -2,-0.5 2,-0.3 5,-0.2 5,-0.2 -0.508 23.7-175.5 -77.5 143.4 9.3 26.4 -9.7 6 10 A D E > -A 9 0A 33 3,-1.6 3,-3.3 -2,-0.2 -2,-0.0 -0.968 43.0-110.7-136.2 150.7 9.5 25.9 -6.0 7 11 A F T 3 S+ 0 0 179 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 0.597 125.1 52.9 -56.6 -7.5 11.2 28.0 -3.3 8 12 A L T 3 S- 0 0 97 1,-0.5 -1,-0.3 3,-0.0 2,-0.3 0.490 127.3 -85.6-102.5 -11.5 13.5 24.8 -3.1 9 13 A G E < -A 6 0A 31 -3,-3.3 -3,-1.6 2,-0.1 2,-0.5 -0.807 63.5 -35.4 134.3-174.2 14.2 24.9 -6.8 10 14 A E E -A 5 0A 154 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.729 50.9-170.5 -89.5 126.0 12.7 23.7 -10.1 11 15 A K E -A 4 0A 11 -7,-2.2 -7,-2.4 -2,-0.5 2,-1.0 -0.945 21.8-130.4-116.8 134.8 10.9 20.3 -10.1 12 16 A E E -A 3 0A 154 -2,-0.4 -9,-0.2 -9,-0.2 3,-0.1 -0.737 23.9-160.9 -88.9 102.1 9.8 18.5 -13.2 13 17 A I - 0 0 0 -2,-1.0 -11,-0.3 -11,-0.9 7,-0.0 -0.629 29.2-102.4 -82.1 135.2 6.2 17.6 -12.8 14 18 A P > - 0 0 58 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 -0.232 24.0-126.3 -56.3 145.2 4.9 14.8 -15.1 15 19 A K T 3 S+ 0 0 50 1,-0.3 104,-0.1 -3,-0.1 -2,-0.0 0.926 111.4 44.7 -59.2 -47.3 2.8 16.1 -18.0 16 20 A D T 3 S+ 0 0 146 2,-0.0 -1,-0.3 0, 0.0 2,-0.2 0.460 94.6 110.0 -77.0 -1.1 -0.1 13.7 -17.2 17 21 A A < - 0 0 5 -3,-1.0 -4,-0.0 1,-0.1 68,-0.0 -0.548 49.7-167.3 -82.5 140.6 0.2 14.6 -13.5 18 22 A Y + 0 0 21 -2,-0.2 91,-0.5 64,-0.1 92,-0.3 0.369 67.7 76.0-104.2 1.6 -2.4 16.6 -11.7 19 23 A Y - 0 0 36 -5,-0.1 2,-0.2 90,-0.1 83,-0.1 -0.443 67.1-154.5 -99.8-178.8 -0.4 17.3 -8.5 20 24 A G > - 0 0 0 -2,-0.2 4,-2.4 81,-0.1 3,-0.4 -0.724 39.6 -57.4-143.0-167.0 2.4 19.9 -8.3 21 25 A V H > S+ 0 0 12 1,-0.2 4,-3.3 -2,-0.2 5,-0.3 0.842 125.4 58.4 -45.4 -45.5 5.6 20.9 -6.5 22 26 A Q H > S+ 0 0 76 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.958 110.7 41.7 -50.5 -57.0 3.8 21.1 -3.1 23 27 A T H > S+ 0 0 0 -3,-0.4 4,-1.7 78,-0.2 -2,-0.2 0.901 115.2 51.1 -58.5 -45.6 2.8 17.4 -3.4 24 28 A I H X S+ 0 0 33 -4,-2.4 4,-1.8 1,-0.2 3,-0.5 0.948 107.3 51.6 -58.4 -52.6 6.3 16.4 -4.8 25 29 A R H X S+ 0 0 30 -4,-3.3 4,-3.0 1,-0.3 -1,-0.2 0.852 108.2 54.1 -53.3 -36.5 8.2 18.1 -2.0 26 30 A A H X S+ 0 0 2 -4,-1.7 4,-2.6 -5,-0.3 -1,-0.3 0.874 104.6 53.5 -66.9 -36.9 6.0 16.2 0.4 27 31 A T H < S+ 0 0 56 -4,-1.7 -1,-0.2 -3,-0.5 -2,-0.2 0.852 112.6 45.7 -66.0 -33.1 7.0 13.0 -1.3 28 32 A E H < S+ 0 0 110 -4,-1.8 -2,-0.2 -5,-0.1 -1,-0.2 0.940 115.1 44.2 -74.2 -49.7 10.6 13.9 -0.7 29 33 A N H < S+ 0 0 102 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.890 123.3 35.2 -63.0 -40.5 10.3 15.1 2.9 30 34 A F < + 0 0 44 -4,-2.6 2,-1.3 -5,-0.2 59,-0.3 -0.532 56.8 150.1-120.4 69.1 8.1 12.1 4.0 31 35 A P + 0 0 96 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 -0.354 38.2 127.3 -90.8 57.2 9.0 8.8 2.2 32 36 A I S S- 0 0 96 -2,-1.3 60,-0.1 59,-0.4 -5,-0.0 0.993 77.0 -3.2 -78.4 -71.2 7.9 6.9 5.3 33 37 A T S S- 0 0 44 -3,-0.3 3,-0.1 58,-0.2 -1,-0.0 0.744 75.1-136.1 -98.2 -30.8 5.3 4.1 4.6 34 38 A G + 0 0 60 -4,-0.3 55,-0.0 1,-0.2 -4,-0.0 0.428 59.7 135.0 85.8 -1.9 4.7 4.5 0.9 35 39 A Y - 0 0 135 1,-0.1 2,-0.4 56,-0.0 -1,-0.2 -0.096 51.7-125.9 -72.6 174.9 1.0 4.1 1.5 36 40 A R - 0 0 129 53,-0.1 51,-0.1 -3,-0.1 53,-0.1 -0.936 31.8 -96.9-123.0 147.0 -1.8 6.2 0.0 37 41 A I - 0 0 7 51,-0.4 5,-0.1 -2,-0.4 49,-0.1 -0.366 55.4 -88.5 -64.5 139.5 -4.5 8.0 2.0 38 42 A H >> - 0 0 51 1,-0.2 3,-2.0 3,-0.1 4,-1.7 -0.200 34.8-122.6 -48.3 133.3 -7.7 6.0 2.2 39 43 A P H 3> S+ 0 0 65 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.644 112.1 63.3 -57.0 -13.3 -9.9 6.8 -0.8 40 44 A E H 3> S+ 0 0 39 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.831 102.7 48.3 -81.1 -28.9 -12.7 7.9 1.6 41 45 A L H <> S+ 0 0 7 -3,-2.0 4,-2.3 2,-0.2 5,-0.2 0.906 111.5 51.0 -72.0 -40.7 -10.4 10.6 2.8 42 46 A I H X S+ 0 0 3 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.957 110.3 47.9 -59.2 -51.2 -9.7 11.6 -0.8 43 47 A K H X S+ 0 0 78 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.910 111.1 52.3 -55.4 -44.4 -13.5 11.7 -1.5 44 48 A S H X S+ 0 0 0 -4,-2.0 4,-3.0 1,-0.2 -1,-0.2 0.856 104.4 55.1 -60.9 -39.2 -13.9 13.8 1.6 45 49 A L H X S+ 0 0 1 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.919 107.1 52.1 -60.3 -41.9 -11.3 16.3 0.5 46 50 A G H X S+ 0 0 0 -4,-1.9 4,-1.8 31,-0.2 -2,-0.2 0.876 109.9 47.9 -62.0 -39.2 -13.3 16.6 -2.7 47 51 A I H X S+ 0 0 5 -4,-1.7 4,-3.3 2,-0.2 5,-0.3 0.956 111.4 49.7 -67.9 -48.6 -16.4 17.4 -0.8 48 52 A V H X S+ 0 0 0 -4,-3.0 4,-1.4 1,-0.2 -2,-0.2 0.930 112.3 47.7 -56.0 -46.6 -14.7 19.9 1.5 49 53 A K H X S+ 0 0 1 -4,-2.8 4,-2.0 2,-0.2 -1,-0.2 0.855 114.2 47.5 -63.7 -34.6 -13.2 21.7 -1.6 50 54 A K H X S+ 0 0 29 -4,-1.8 4,-2.5 2,-0.2 5,-0.3 0.954 110.2 50.5 -70.4 -50.2 -16.6 21.7 -3.3 51 55 A S H X S+ 0 0 0 -4,-3.3 4,-1.1 1,-0.2 -1,-0.2 0.748 114.2 46.8 -59.2 -24.9 -18.5 22.9 -0.3 52 56 A A H X S+ 0 0 0 -4,-1.4 4,-2.8 -5,-0.3 -1,-0.2 0.858 108.6 53.9 -84.5 -38.6 -16.0 25.7 0.0 53 57 A A H X S+ 0 0 3 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.932 111.3 45.1 -61.2 -47.5 -16.0 26.6 -3.7 54 58 A L H X S+ 0 0 36 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.919 114.6 48.3 -63.4 -44.1 -19.8 27.1 -3.7 55 59 A A H X S+ 0 0 0 -4,-1.1 4,-2.3 -5,-0.3 6,-0.2 0.918 109.9 51.7 -63.5 -43.2 -19.8 29.1 -0.5 56 60 A N H <>S+ 0 0 1 -4,-2.8 5,-2.3 1,-0.2 6,-1.9 0.813 111.9 47.7 -63.6 -30.2 -16.9 31.4 -1.7 57 61 A M H ><5S+ 0 0 19 -4,-1.5 3,-1.5 4,-0.2 -1,-0.2 0.895 109.5 51.6 -77.2 -41.5 -18.9 32.1 -4.9 58 62 A E H 3<5S+ 0 0 121 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.910 112.1 46.3 -61.2 -43.2 -22.2 32.8 -3.1 59 63 A V T 3<5S- 0 0 30 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.273 117.9-115.1 -83.8 11.7 -20.4 35.3 -0.8 60 64 A G T < 5S+ 0 0 53 -3,-1.5 -3,-0.2 2,-0.1 -2,-0.1 0.623 85.1 115.1 67.0 15.1 -18.7 36.8 -3.8 61 65 A L < + 0 0 93 -5,-2.3 2,-0.4 -6,-0.2 -4,-0.2 0.762 69.1 55.1 -85.1 -26.8 -15.1 35.9 -2.8 62 66 A L S S- 0 0 4 -6,-1.9 2,-0.3 -9,-0.1 -2,-0.1 -0.920 91.9-109.7-115.4 131.9 -14.5 33.5 -5.7 63 67 A D >> - 0 0 83 -2,-0.4 4,-3.4 1,-0.2 3,-0.9 -0.366 25.4-143.9 -57.1 113.5 -14.8 34.3 -9.4 64 68 A K H 3> S+ 0 0 106 -2,-0.3 4,-1.4 1,-0.3 -1,-0.2 0.700 97.2 58.4 -54.2 -23.4 -17.9 32.3 -10.5 65 69 A E H 3> S+ 0 0 147 2,-0.2 4,-0.6 3,-0.1 -1,-0.3 0.893 117.0 31.8 -75.0 -39.9 -16.3 31.6 -13.9 66 70 A V H X> S+ 0 0 7 -3,-0.9 4,-2.0 2,-0.2 3,-1.4 0.942 116.8 56.1 -79.0 -53.6 -13.3 29.9 -12.3 67 71 A G H 3X S+ 0 0 0 -4,-3.4 4,-2.7 1,-0.3 5,-0.2 0.866 99.1 63.0 -45.4 -43.0 -15.2 28.5 -9.3 68 72 A Q H 3X S+ 0 0 117 -4,-1.4 4,-1.6 -5,-0.3 -1,-0.3 0.898 107.5 42.2 -50.6 -45.0 -17.6 26.8 -11.6 69 73 A Y H X S+ 0 0 0 -4,-2.6 4,-1.7 2,-0.2 3,-0.6 0.908 111.1 50.7 -67.1 -45.5 -13.3 19.1 -10.8 74 78 A A H 3X S+ 0 0 0 -4,-3.1 4,-1.9 1,-0.3 -1,-0.2 0.873 105.7 59.5 -60.4 -33.8 -13.9 18.6 -7.1 75 79 A D H 3X S+ 0 0 46 -4,-2.3 4,-1.3 -5,-0.3 -1,-0.3 0.856 103.6 49.7 -63.2 -33.8 -16.9 16.6 -8.2 76 80 A E H <<>S+ 0 0 40 -4,-1.0 5,-2.2 -3,-0.6 6,-0.3 0.819 108.1 53.3 -74.5 -29.6 -14.6 14.3 -10.0 77 81 A V H ><5S+ 0 0 0 -4,-1.7 3,-0.9 1,-0.2 -2,-0.2 0.837 106.8 52.6 -71.3 -32.1 -12.5 13.9 -6.9 78 82 A I H 3<5S+ 0 0 31 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.831 105.2 54.6 -70.8 -33.2 -15.6 13.0 -5.0 79 83 A E T 3<5S- 0 0 119 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.366 116.6-117.6 -80.6 3.5 -16.4 10.3 -7.5 80 84 A G T < 5S+ 0 0 28 -3,-0.9 -3,-0.2 1,-0.1 3,-0.2 0.939 71.2 138.3 59.1 48.8 -13.0 8.9 -6.9 81 85 A K S + 0 0 48 -6,-0.3 3,-1.4 -5,-0.2 4,-0.4 0.019 66.0 127.9-136.0 31.2 -8.5 10.7 -9.4 83 87 A N G > S+ 0 0 54 1,-0.3 3,-1.3 -3,-0.2 -46,-0.1 0.796 72.8 66.5 -58.9 -26.9 -7.4 8.6 -6.4 84 88 A D G 3 S+ 0 0 129 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.830 90.8 62.3 -62.4 -32.8 -4.1 8.0 -8.2 85 89 A Q G < S+ 0 0 26 -3,-1.4 2,-1.1 1,-0.1 -1,-0.3 0.607 82.6 87.0 -70.4 -13.5 -3.1 11.6 -8.0 86 90 A F < + 0 0 0 -3,-1.3 -49,-0.2 -4,-0.4 -1,-0.1 -0.775 47.8 150.0 -92.2 100.5 -3.1 11.5 -4.2 87 91 A I + 0 0 33 -2,-1.1 -1,-0.2 -51,-0.1 -53,-0.1 0.353 22.5 118.5-113.8 3.4 0.5 10.4 -3.4 88 92 A V S S- 0 0 0 10,-0.1 -51,-0.4 1,-0.1 -61,-0.1 -0.367 71.3 -99.0 -73.7 153.8 1.5 11.9 -0.1 89 93 A D - 0 0 9 -59,-0.3 -53,-0.1 -63,-0.2 10,-0.1 -0.543 17.6-137.0 -74.7 127.0 2.4 9.6 2.9 90 94 A P S S+ 0 0 7 0, 0.0 2,-0.8 0, 0.0 273,-0.3 0.851 101.9 62.5 -50.7 -31.1 -0.4 9.1 5.4 91 95 A I S S+ 0 0 49 -61,-0.1 -59,-0.4 269,-0.1 2,-0.3 -0.860 80.6 136.4 -97.8 105.6 2.3 9.6 8.0 92 96 A Q - 0 0 13 -2,-0.8 3,-0.3 -4,-0.1 268,-0.2 -0.984 48.1-125.5-150.0 158.8 3.6 13.2 7.4 93 97 A G S > S+ 0 0 29 -2,-0.3 3,-0.7 1,-0.2 5,-0.4 -0.198 81.3 72.8 -89.8-171.1 4.7 16.3 9.2 94 98 A G G > S- 0 0 36 1,-0.2 3,-1.5 2,-0.1 -1,-0.2 0.542 110.4 -97.1 79.6 3.2 3.2 19.7 8.5 95 99 A A G 3 S- 0 0 1 261,-0.5 -1,-0.2 -3,-0.3 -2,-0.1 0.765 85.6 -40.7 55.2 33.9 0.0 18.6 10.3 96 100 A G G <> S+ 0 0 0 -3,-0.7 4,-3.0 260,-0.1 -1,-0.3 0.288 103.4 121.2 103.7 -12.1 -1.8 17.6 7.1 97 101 A T H <> S+ 0 0 50 -3,-1.5 4,-3.7 1,-0.2 5,-0.2 0.872 76.4 52.8 -53.9 -40.5 -0.8 20.5 4.9 98 102 A S H > S+ 0 0 17 -5,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.941 111.5 46.4 -62.3 -45.3 0.7 18.1 2.3 99 103 A I H > S+ 0 0 4 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.935 115.7 46.0 -60.4 -46.7 -2.5 16.1 2.2 100 104 A N H X S+ 0 0 1 -4,-3.0 4,-2.1 1,-0.2 3,-0.3 0.940 114.1 47.5 -62.8 -47.3 -4.5 19.4 1.9 101 105 A M H X S+ 0 0 7 -4,-3.7 4,-2.9 1,-0.2 5,-0.2 0.813 105.0 59.6 -65.1 -30.2 -2.2 20.8 -0.8 102 106 A N H X S+ 0 0 0 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.2 0.894 111.0 42.4 -63.9 -38.7 -2.3 17.5 -2.7 103 107 A A H X S+ 0 0 0 -4,-1.5 4,-1.9 -3,-0.3 5,-0.2 0.861 114.0 51.6 -74.2 -36.1 -6.1 18.0 -3.0 104 108 A N H X S+ 0 0 0 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.878 114.6 42.6 -67.9 -39.5 -5.7 21.7 -3.7 105 109 A E H X S+ 0 0 0 -4,-2.9 4,-2.7 2,-0.2 5,-0.3 0.950 113.5 49.5 -73.4 -50.3 -3.3 21.1 -6.5 106 110 A V H X S+ 0 0 0 -4,-2.1 4,-2.4 -5,-0.2 5,-0.2 0.927 116.6 42.2 -54.1 -49.3 -5.0 18.1 -8.1 107 111 A I H X S+ 0 0 0 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.882 113.7 53.6 -65.4 -40.0 -8.4 20.0 -8.2 108 112 A A H X S+ 0 0 0 -4,-1.6 4,-1.8 -5,-0.2 -2,-0.2 0.910 113.9 40.5 -61.5 -46.5 -6.7 23.2 -9.3 109 113 A N H X S+ 0 0 0 -4,-2.7 4,-1.8 -91,-0.5 -2,-0.2 0.879 113.2 52.0 -72.7 -39.6 -5.0 21.6 -12.3 110 114 A R H X S+ 0 0 40 -4,-2.4 4,-1.6 -5,-0.3 -1,-0.2 0.830 110.1 52.0 -66.6 -28.0 -7.9 19.4 -13.3 111 115 A A H X S+ 0 0 0 -4,-1.6 4,-1.8 -5,-0.2 -2,-0.2 0.923 106.4 51.9 -72.1 -44.0 -10.1 22.5 -13.3 112 116 A L H <>S+ 0 0 0 -4,-1.8 5,-2.2 1,-0.2 -2,-0.2 0.853 108.1 53.2 -59.8 -35.2 -7.6 24.4 -15.5 113 117 A E H ><5S+ 0 0 68 -4,-1.8 3,-1.5 3,-0.2 -1,-0.2 0.921 106.5 52.3 -66.6 -43.5 -7.8 21.5 -18.0 114 118 A L H 3<5S+ 0 0 51 -4,-1.6 -2,-0.2 1,-0.3 -1,-0.2 0.846 110.5 47.4 -61.7 -36.2 -11.6 21.7 -18.0 115 119 A M T 3<5S- 0 0 31 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 -0.032 123.4-103.2 -97.6 33.5 -11.5 25.4 -18.9 116 120 A G T < 5S+ 0 0 63 -3,-1.5 2,-0.3 1,-0.2 -3,-0.2 0.909 75.8 131.2 48.3 59.8 -8.9 24.9 -21.6 117 121 A E < - 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0 0 6 -5,-0.3 30,-0.5 -4,-0.1 -3,-0.1 -0.331 62.4-151.3 -83.0 166.4 4.8 39.6 16.6 865 406 B I S > S+ 0 0 63 -214,-0.1 3,-3.4 2,-0.1 4,-0.2 0.805 87.2 72.1-100.9 -47.1 4.3 39.3 12.9 866 407 B G T > S+ 0 0 15 1,-0.3 3,-2.4 -215,-0.3 4,-0.4 0.728 78.2 80.7 -41.6 -29.2 1.0 37.4 12.8 867 408 B I T >> S+ 0 0 1 1,-0.3 4,-1.4 -6,-0.2 3,-0.9 0.707 74.8 78.9 -53.6 -18.7 -0.7 40.5 14.0 868 409 B I H <> S+ 0 0 19 -3,-3.4 4,-4.5 1,-0.3 -1,-0.3 0.843 79.3 66.4 -59.3 -36.6 -0.5 41.5 10.3 869 410 B T H <4 S+ 0 0 48 -3,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.861 101.8 47.8 -55.0 -37.6 -3.5 39.3 9.5 870 411 B A H <4 S+ 0 0 5 -3,-0.9 4,-0.3 -4,-0.4 -1,-0.2 0.936 119.4 39.1 -68.3 -44.7 -5.6 41.7 11.6 871 412 B I H >< S+ 0 0 0 -4,-1.4 3,-2.2 1,-0.2 4,-0.2 0.838 96.3 81.5 -73.2 -38.9 -4.2 44.7 9.8 872 413 B N G >X S+ 0 0 53 -4,-4.5 4,-2.3 1,-0.3 3,-2.3 0.821 85.7 57.6 -36.2 -52.5 -4.0 43.1 6.3 873 414 B P G 34 S+ 0 0 39 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.812 106.6 50.0 -54.4 -31.6 -7.7 43.8 5.6 874 415 B H G <4 S+ 0 0 79 -3,-2.2 -2,-0.2 -4,-0.3 -3,-0.1 0.273 123.9 27.7 -91.9 12.2 -7.2 47.5 6.2 875 416 B V T <> S- 0 0 25 -3,-2.3 4,-0.6 -4,-0.2 -3,-0.1 0.428 106.1-112.5-147.2 -8.2 -4.2 47.8 3.9 876 417 B G H X - 0 0 36 -4,-2.3 4,-2.5 -5,-0.2 5,-0.2 0.314 33.6 -85.1 80.9 146.8 -4.4 45.1 1.2 877 418 B Y H > S+ 0 0 72 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.822 122.3 61.8 -54.3 -38.3 -2.2 42.0 0.7 878 419 B E H > S+ 0 0 87 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.957 115.4 28.9 -54.9 -56.9 0.4 43.9 -1.3 879 420 B T H X S+ 0 0 59 -4,-0.6 4,-2.9 -3,-0.2 5,-0.2 0.831 115.7 59.5 -75.3 -36.2 1.3 46.3 1.5 880 421 B A H X S+ 0 0 4 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.851 107.4 48.7 -61.9 -34.8 0.5 44.0 4.4 881 422 B A H X S+ 0 0 50 -4,-1.9 4,-3.1 -5,-0.2 -1,-0.2 0.898 111.1 48.3 -72.2 -42.2 3.1 41.5 3.1 882 423 B K H X S+ 0 0 45 -4,-1.2 4,-2.1 -5,-0.2 5,-0.3 0.952 113.0 48.5 -62.1 -49.2 5.8 44.2 2.6 883 424 B L H X S+ 0 0 6 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.901 114.6 47.1 -56.6 -43.2 5.1 45.5 6.2 884 425 B A H X S+ 0 0 17 -4,-1.9 4,-1.5 -5,-0.2 -2,-0.2 0.940 112.4 47.2 -66.1 -50.6 5.3 41.9 7.5 885 426 B R H >X S+ 0 0 178 -4,-3.1 4,-2.1 2,-0.2 3,-1.2 0.984 114.2 45.5 -55.4 -64.2 8.5 40.9 5.7 886 427 B E H 3X S+ 0 0 67 -4,-2.1 4,-3.3 1,-0.3 5,-0.5 0.892 110.8 52.3 -47.0 -52.1 10.5 44.0 6.6 887 428 B A H 3X S+ 0 0 7 -4,-1.8 4,-1.3 -5,-0.3 -1,-0.3 0.811 110.6 51.1 -57.1 -29.8 9.5 43.9 10.2 888 429 B Y H << S+ 0 0 164 -4,-1.5 -1,-0.2 -3,-1.2 -2,-0.2 0.896 115.6 39.4 -74.5 -41.5 10.6 40.3 10.3 889 430 B L H < S+ 0 0 126 -4,-2.1 -2,-0.2 -5,-0.1 -3,-0.2 0.921 123.8 36.9 -76.2 -45.3 14.0 40.9 8.8 890 431 B T H < S- 0 0 76 -4,-3.3 -3,-0.2 -5,-0.2 -2,-0.2 0.868 100.9-126.4 -77.1 -38.0 14.8 44.2 10.6 891 432 B G < + 0 0 64 -4,-1.3 2,-0.2 -5,-0.5 -4,-0.1 0.443 61.0 135.1 106.1 1.9 13.3 43.4 14.0 892 433 B E - 0 0 86 -6,-0.3 -1,-0.4 1,-0.1 -2,-0.1 -0.587 62.0-101.3 -84.8 145.2 11.0 46.5 14.3 893 434 B S > - 0 0 23 -2,-0.2 4,-1.6 1,-0.1 -30,-0.2 -0.227 24.2-121.4 -62.3 155.4 7.4 46.1 15.4 894 435 B I H > S+ 0 0 3 -32,-0.8 4,-1.2 -30,-0.5 -1,-0.1 0.781 112.6 63.7 -67.9 -27.0 4.7 46.1 12.7 895 436 B R H > S+ 0 0 35 -33,-0.4 4,-1.1 2,-0.2 3,-0.4 0.926 102.7 47.3 -62.1 -45.9 3.2 49.0 14.6 896 437 B E H >> S+ 0 0 104 1,-0.2 4,-3.3 2,-0.2 3,-0.8 0.941 107.7 55.3 -61.2 -49.3 6.3 51.2 14.0 897 438 B L H 3X S+ 0 0 2 -4,-1.6 4,-1.6 1,-0.3 -1,-0.2 0.750 103.3 56.2 -58.3 -25.4 6.4 50.3 10.3 898 439 B C H 3<>S+ 0 0 0 -4,-1.2 5,-2.1 -3,-0.4 6,-1.3 0.844 115.8 36.4 -76.4 -31.5 2.9 51.5 9.8 899 440 B I H <<5S+ 0 0 81 -4,-1.1 -2,-0.2 -3,-0.8 3,-0.2 0.904 118.9 47.7 -84.2 -46.8 3.7 54.9 11.2 900 441 B K H <5S+ 0 0 86 -4,-3.3 -3,-0.2 1,-0.3 -2,-0.2 0.958 121.7 37.4 -57.6 -52.0 7.2 55.2 9.7 901 442 B Y T <5S- 0 0 151 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.529 113.9-133.6 -75.9 -6.1 5.9 54.1 6.3 902 443 B G T 5 + 0 0 55 -3,-0.2 -3,-0.3 2,-0.1 3,-0.1 0.939 64.9 123.2 49.4 93.6 2.8 56.1 7.2 903 444 B V S - 0 0 76 -2,-0.3 4,-1.9 -3,-0.1 5,-0.2 -0.498 34.3-104.0 -83.2 156.2 -2.0 56.3 12.5 906 447 B E H > S+ 0 0 75 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.841 125.2 44.0 -45.8 -37.6 -1.4 55.3 16.1 907 448 B E H > S+ 0 0 138 2,-0.2 4,-1.6 1,-0.2 3,-0.4 0.939 108.5 53.4 -73.9 -50.9 -5.2 55.7 16.6 908 449 B Q H 4 S+ 0 0 97 1,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.720 109.6 54.4 -57.4 -20.8 -6.4 54.0 13.4 909 450 B L H >X S+ 0 0 0 -4,-1.9 4,-3.0 2,-0.2 3,-1.0 0.873 104.7 48.4 -83.1 -41.8 -4.2 51.0 14.5 910 451 B N H 3< S+ 0 0 79 -4,-1.2 -2,-0.2 -3,-0.4 -1,-0.1 0.774 103.9 61.4 -70.5 -26.8 -5.6 50.5 18.0 911 452 B E T 3< S+ 0 0 73 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.591 115.0 36.7 -74.1 -9.4 -9.2 50.5 16.6 912 453 B I T <4 S+ 0 0 13 -3,-1.0 2,-1.6 -5,-0.2 -2,-0.2 0.758 105.9 63.7-106.2 -46.0 -8.0 47.5 14.6 913 454 B L S < S+ 0 0 27 -4,-3.0 -2,-0.1 4,-0.0 -3,-0.1 -0.083 71.6 152.1 -75.0 40.3 -5.8 45.8 17.2 914 455 B N > - 0 0 62 -2,-1.6 4,-1.9 1,-0.2 5,-0.2 -0.641 44.5-141.8 -74.4 115.5 -8.9 45.3 19.2 915 456 B P H > S+ 0 0 52 0, 0.0 4,-0.7 0, 0.0 -1,-0.2 0.871 95.5 36.8 -46.1 -48.7 -8.2 42.2 21.3 916 457 B Y H >4 S+ 0 0 145 2,-0.2 3,-1.3 1,-0.2 4,-0.2 0.971 117.8 46.0 -71.7 -57.0 -11.8 40.9 21.1 917 458 B E H 34 S+ 0 0 85 1,-0.3 3,-0.4 2,-0.2 -1,-0.2 0.700 113.2 55.5 -59.0 -20.1 -12.8 41.8 17.5 918 459 B M H 3< S+ 0 0 6 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.688 106.9 47.7 -86.4 -22.5 -9.4 40.5 16.5 919 460 B I S << S+ 0 0 1 -3,-1.3 -1,-0.2 -4,-0.7 -2,-0.2 0.161 106.0 66.8-106.0 16.9 -10.0 37.0 18.0 920 461 B H S S- 0 0 55 -3,-0.4 -687,-0.5 -4,-0.2 -689,-0.2 -0.972 88.9 -94.9-137.7 151.3 -13.4 36.4 16.6 921 462 B P + 0 0 55 0, 0.0 2,-0.3 0, 0.0 -689,-0.2 -0.332 61.1 124.3 -65.3 144.2 -14.9 35.9 13.1 922 463 B G - 0 0 22 -688,-1.1 -689,-0.1 -691,-0.6 -2,-0.0 -0.960 59.0 -75.3 176.7 169.1 -16.2 38.9 11.3 923 464 B I - 0 0 138 -2,-0.3 -690,-0.2 1,-0.1 -689,-0.1 0.069 56.6 -97.6 -65.8-172.5 -16.1 41.1 8.1 924 465 B A 0 0 45 -691,-0.1 -1,-0.1 -51,-0.1 -690,-0.0 0.514 360.0 360.0 -90.3 -5.1 -13.2 43.5 7.7 925 466 B G 0 0 82 -51,-0.0 -51,-0.0 -52,-0.0 -1,-0.0 0.779 360.0 360.0-114.8 360.0 -15.1 46.5 9.0