==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 17-APR-03 1P3D . COMPND 2 MOLECULE: UDP-N-ACETYLMURAMATE--ALANINE LIGASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HAEMOPHILUS INFLUENZAE; . AUTHOR C.D.MOL,A.BROOUN,D.R.DOUGAN,M.T.HILGERS,L.W.TARI, . 923 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39457.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 680 73.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 144 15.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 62 6.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 81 8.8 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 . 253 27.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 1.4 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 0 0 2 0 8 3 4 4 3 0 3 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 6 10 10 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 . 2 0 2 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 2 2 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 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 11 A I 0 0 210 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 171.8 9.0 15.0 64.6 2 12 A I - 0 0 74 1,-0.1 3,-0.1 105,-0.0 105,-0.0 -0.671 360.0 -99.4 -73.0 133.4 7.9 11.4 64.7 3 13 A P - 0 0 111 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.147 45.4 -91.2 -53.5 150.1 9.0 9.8 68.0 4 14 A E - 0 0 109 1,-0.1 3,-0.1 -3,-0.1 2,-0.1 -0.291 52.9 -87.1 -56.9 145.0 12.2 7.7 68.0 5 15 A X > - 0 0 47 1,-0.1 3,-2.3 3,-0.1 -1,-0.1 -0.426 68.1 -85.8 -52.8 127.0 11.8 4.0 67.4 6 16 A R T 3 S- 0 0 198 1,-0.3 -1,-0.1 -2,-0.1 3,-0.1 -0.124 101.3 -13.6 -52.0 124.8 11.2 2.7 70.9 7 17 A R T 3 S+ 0 0 192 1,-0.2 2,-1.0 -3,-0.1 -1,-0.3 0.590 93.0 141.2 60.8 14.0 14.3 1.9 72.9 8 18 A V < + 0 0 28 -3,-2.3 -1,-0.2 1,-0.2 3,-0.1 -0.772 7.4 147.5 -90.7 102.2 16.5 2.2 69.7 9 19 A Q + 0 0 138 -2,-1.0 25,-2.0 1,-0.3 2,-0.4 0.841 65.9 24.5 -98.2 -50.0 19.6 3.9 70.9 10 20 A Q E -a 34 0A 29 57,-0.3 59,-3.3 23,-0.2 60,-1.2 -0.976 62.1-160.6-127.4 131.6 22.3 2.4 68.6 11 21 A I E -ab 35 70A 0 23,-2.6 25,-2.5 -2,-0.4 2,-0.5 -0.959 11.4-158.7-113.0 121.7 21.8 0.8 65.2 12 22 A H E -ab 36 71A 0 58,-2.7 60,-3.4 -2,-0.5 2,-0.5 -0.879 1.7-157.3-105.5 132.1 24.6 -1.6 64.1 13 23 A F E > -ab 37 72A 0 23,-2.0 25,-2.7 -2,-0.5 2,-0.9 -0.931 6.8-156.3-111.9 119.6 25.1 -2.4 60.4 14 24 A I E 3 S+ab 38 73A 0 58,-2.8 60,-2.0 -2,-0.5 63,-0.2 -0.860 94.2 17.0 -92.6 107.1 26.9 -5.5 59.3 15 25 A G T > S+ 0 0 7 23,-2.8 3,-2.0 -2,-0.9 -1,-0.2 0.750 79.3 167.4 98.1 38.9 28.1 -4.5 55.8 16 26 A I T < + 0 0 0 22,-2.0 9,-0.2 -3,-0.7 23,-0.2 0.677 66.2 66.0 -64.6 -21.9 27.6 -0.8 56.3 17 27 A G T 3 S+ 0 0 20 21,-0.3 -1,-0.3 24,-0.1 28,-0.1 0.522 77.8 123.5 -76.4 -5.2 29.5 0.2 53.2 18 28 A G S <> S- 0 0 22 -3,-2.0 4,-2.8 1,-0.1 5,-0.3 -0.136 75.5-115.8 -56.9 152.2 26.8 -1.4 51.0 19 29 A A T 4 S+ 0 0 53 1,-0.2 4,-0.4 2,-0.2 124,-0.2 0.837 117.1 27.0 -59.5 -37.3 25.0 0.6 48.4 20 30 A G T > S+ 0 0 15 122,-0.2 4,-1.7 2,-0.1 -1,-0.2 0.820 120.3 55.9 -90.8 -39.7 21.7 0.3 50.2 21 31 A X H > S+ 0 0 1 -6,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.916 103.3 54.1 -58.2 -48.3 23.1 -0.2 53.7 22 32 A S H X S+ 0 0 9 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.866 108.1 49.2 -58.4 -40.9 25.0 3.1 53.7 23 33 A G H > S+ 0 0 2 -4,-0.4 4,-2.4 -5,-0.3 -1,-0.2 0.896 110.6 49.3 -67.4 -42.0 22.0 5.2 52.7 24 34 A I H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 5,-0.2 0.944 112.3 49.7 -60.6 -47.2 19.9 3.7 55.4 25 35 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.890 110.6 49.9 -57.5 -43.2 22.7 4.3 57.9 26 36 A E H X S+ 0 0 15 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.883 109.0 50.9 -66.6 -41.6 23.0 8.0 56.8 27 37 A I H X S+ 0 0 0 -4,-2.4 4,-0.9 2,-0.2 -2,-0.2 0.956 115.0 43.2 -55.7 -52.0 19.2 8.6 57.1 28 38 A L H X>S+ 0 0 2 -4,-2.3 5,-2.2 1,-0.2 4,-0.6 0.857 110.6 55.1 -68.5 -36.2 19.2 7.3 60.6 29 39 A L H ><5S+ 0 0 28 -4,-2.5 3,-1.0 1,-0.2 -1,-0.2 0.928 110.5 46.9 -57.4 -44.9 22.5 9.1 61.5 30 40 A N H 3<5S+ 0 0 97 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.615 104.3 60.2 -78.6 -11.5 20.8 12.3 60.5 31 41 A E H 3<5S- 0 0 71 -4,-0.9 -1,-0.3 -3,-0.3 -2,-0.2 0.557 126.8 -98.8 -86.8 -10.8 17.6 11.5 62.4 32 42 A G T <<5S+ 0 0 56 -3,-1.0 -3,-0.2 -4,-0.6 2,-0.1 0.452 75.6 138.9 112.7 3.6 19.8 11.4 65.5 33 43 A Y < - 0 0 19 -5,-2.2 2,-0.4 1,-0.1 -1,-0.3 -0.476 58.7-111.3 -76.3 148.4 20.5 7.7 66.1 34 44 A Q E -a 10 0A 116 -25,-2.0 -23,-2.6 -2,-0.1 2,-0.4 -0.679 39.5-156.6 -73.6 130.3 23.9 6.4 67.2 35 45 A I E +a 11 0A 6 -2,-0.4 20,-2.9 18,-0.3 2,-0.3 -0.948 20.1 168.0-117.5 131.0 25.2 4.5 64.3 36 46 A S E +ac 12 55A 2 -25,-2.5 -23,-2.0 -2,-0.4 2,-0.3 -0.914 10.5 160.7-128.2 162.7 27.8 1.7 64.3 37 47 A G E -ac 13 56A 0 18,-2.1 20,-2.8 -2,-0.3 2,-0.3 -0.976 26.1-139.3-172.5 160.5 28.8 -0.7 61.6 38 48 A S E +ac 14 57A 0 -25,-2.7 -23,-2.8 -2,-0.3 -22,-2.0 -0.933 17.7 173.2-125.5 154.0 31.3 -3.1 60.2 39 49 A D E - c 0 58A 21 18,-1.8 20,-2.6 -2,-0.3 -2,-0.0 -0.965 36.1-132.7-154.4 147.1 32.5 -3.7 56.7 40 50 A I S S+ 0 0 132 -2,-0.3 2,-0.4 18,-0.2 18,-0.1 0.666 94.9 50.5 -72.9 -15.8 35.3 -5.9 55.2 41 51 A A - 0 0 53 18,-0.1 2,-0.5 -3,-0.0 -24,-0.1 -0.965 69.9-147.2-127.4 140.0 36.4 -3.0 53.1 42 52 A D + 0 0 86 -2,-0.4 2,-0.2 4,-0.1 16,-0.0 -0.920 41.2 132.5-101.5 125.9 37.2 0.7 53.9 43 53 A G S > S- 0 0 29 -2,-0.5 4,-2.6 0, 0.0 5,-0.2 -0.769 70.0 -58.1-148.9-162.1 36.4 3.1 51.1 44 54 A V H > S+ 0 0 120 -2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.859 128.5 51.5 -55.7 -38.7 34.7 6.5 50.2 45 55 A V H > S+ 0 0 54 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.952 113.6 40.1 -68.3 -51.7 31.4 5.3 51.7 46 56 A T H > S+ 0 0 2 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.864 115.4 53.1 -67.0 -36.1 32.7 4.1 55.1 47 57 A Q H X S+ 0 0 89 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.898 108.7 49.8 -64.4 -42.3 35.0 7.1 55.4 48 58 A R H X S+ 0 0 105 -4,-2.1 4,-1.3 -5,-0.2 -2,-0.2 0.904 112.7 47.0 -61.3 -44.1 32.1 9.5 54.7 49 59 A L H <>S+ 0 0 5 -4,-2.0 5,-2.5 2,-0.2 4,-0.4 0.917 112.2 49.7 -65.3 -43.5 29.9 7.7 57.4 50 60 A A H ><5S+ 0 0 47 -4,-2.6 3,-1.2 1,-0.2 -2,-0.2 0.895 109.0 52.0 -61.9 -42.2 32.8 7.8 59.9 51 61 A Q H 3<5S+ 0 0 169 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.793 106.7 54.9 -63.9 -30.1 33.4 11.5 59.3 52 62 A A T 3<5S- 0 0 62 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.493 132.6 -89.7 -83.0 -6.1 29.7 12.1 59.9 53 63 A G T < 5S+ 0 0 46 -3,-1.2 -18,-0.3 -4,-0.4 -3,-0.2 0.421 79.4 138.6 113.8 0.7 29.9 10.4 63.3 54 64 A A < - 0 0 1 -5,-2.5 2,-0.9 -6,-0.1 -1,-0.4 -0.539 55.9-124.2 -71.4 140.7 29.2 6.7 62.6 55 65 A K E -c 36 0A 132 -20,-2.9 -18,-2.1 -2,-0.2 2,-0.5 -0.803 36.8-169.2 -88.5 106.3 31.4 4.3 64.5 56 66 A I E -c 37 0A 32 -2,-0.9 2,-0.4 -20,-0.2 -18,-0.2 -0.858 12.8-169.4-109.5 128.3 32.9 2.2 61.7 57 67 A Y E -c 38 0A 86 -20,-2.8 -18,-1.8 -2,-0.5 2,-0.5 -0.937 15.1-142.4-114.0 135.1 35.0 -1.0 62.1 58 68 A I E S+c 39 0A 83 -2,-0.4 -18,-0.2 -20,-0.2 2,-0.1 -0.870 73.6 15.5-100.8 125.2 36.9 -2.6 59.3 59 69 A G S S- 0 0 26 -20,-2.6 2,-0.4 -2,-0.5 -20,-0.3 -0.088 96.3 -80.3 90.0 159.8 36.7 -6.4 59.3 60 70 A H + 0 0 52 -22,-0.1 2,-0.3 -2,-0.1 -2,-0.1 -0.825 51.5 154.6-105.6 136.2 34.3 -8.5 61.4 61 71 A A > - 0 0 20 -2,-0.4 3,-2.0 1,-0.1 4,-0.2 -0.968 47.6-121.8-155.5 143.3 34.5 -9.2 65.1 62 72 A E G > S+ 0 0 105 -2,-0.3 3,-1.2 1,-0.3 4,-0.1 0.775 109.0 64.8 -60.3 -28.3 31.9 -10.1 67.8 63 73 A E G > S+ 0 0 132 1,-0.2 3,-1.6 2,-0.1 -1,-0.3 0.722 84.6 77.2 -64.9 -22.1 33.0 -7.1 69.9 64 74 A H G < S+ 0 0 28 -3,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.672 84.3 62.0 -65.0 -19.3 31.8 -4.7 67.2 65 75 A I G X S+ 0 0 6 -3,-1.2 3,-2.5 -4,-0.2 -1,-0.3 0.496 72.3 136.0 -86.1 -4.6 28.1 -5.2 68.1 66 76 A E T < S+ 0 0 137 -3,-1.6 -3,-0.0 1,-0.3 -4,-0.0 -0.181 74.9 11.4 -45.5 125.1 28.7 -3.7 71.6 67 77 A G T 3 S+ 0 0 42 1,-0.3 -57,-0.3 2,-0.0 -1,-0.3 0.181 89.1 148.2 92.1 -15.0 25.9 -1.3 72.5 68 78 A A < - 0 0 12 -3,-2.5 -1,-0.3 1,-0.2 -57,-0.2 -0.260 31.7-173.0 -60.6 133.0 23.6 -2.2 69.5 69 79 A S S S+ 0 0 30 -59,-3.3 2,-0.3 1,-0.4 -58,-0.2 0.696 81.8 6.7 -89.5 -28.5 19.9 -2.0 70.1 70 80 A V E -b 11 0A 12 -60,-1.2 -58,-2.7 22,-0.1 2,-0.5 -0.983 69.2-140.0-153.6 146.7 19.3 -3.6 66.7 71 81 A V E -bd 12 94A 0 22,-3.0 24,-3.0 -2,-0.3 2,-0.4 -0.969 11.9-159.8-117.2 122.7 21.5 -5.2 64.1 72 82 A V E -bd 13 95A 0 -60,-3.4 -58,-2.8 -2,-0.5 2,-0.4 -0.885 14.5-158.4-103.3 131.4 20.8 -4.5 60.4 73 83 A V E -bd 14 96A 17 22,-2.5 24,-2.0 -2,-0.4 2,-0.2 -0.926 12.9-137.8-124.2 129.2 22.3 -7.1 58.0 74 84 A S > - 0 0 23 -60,-2.0 3,-1.8 -2,-0.4 -58,-0.1 -0.557 26.6-123.3 -73.8 146.8 23.2 -6.9 54.3 75 85 A S T 3 S+ 0 0 68 1,-0.3 -1,-0.1 -2,-0.2 -60,-0.1 0.574 109.7 72.6 -68.4 -6.6 22.3 -10.1 52.4 76 86 A A T 3 S+ 0 0 86 -61,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.675 76.9 100.6 -75.0 -19.7 26.0 -10.1 51.4 77 87 A I S < S- 0 0 27 -3,-1.8 2,-0.1 -63,-0.2 -4,-0.0 -0.493 75.3-125.1 -75.0 132.1 26.8 -11.2 55.0 78 88 A K > - 0 0 145 -2,-0.2 3,-1.8 1,-0.1 6,-0.2 -0.431 19.8-116.1 -73.6 151.8 27.4 -15.0 55.6 79 89 A D T 3 S+ 0 0 138 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.1 0.743 114.5 54.3 -58.3 -27.5 25.4 -16.9 58.2 80 90 A D T 3 S+ 0 0 112 4,-0.1 -1,-0.3 5,-0.0 -2,-0.0 0.274 72.6 138.1 -96.3 9.8 28.6 -17.6 60.2 81 91 A N <> - 0 0 11 -3,-1.8 4,-2.9 1,-0.1 5,-0.2 -0.367 57.3-133.4 -51.4 127.5 29.6 -13.9 60.5 82 92 A P H > S+ 0 0 53 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.844 104.7 49.9 -61.1 -35.6 30.8 -13.4 64.1 83 93 A E H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.892 113.3 46.8 -67.7 -41.1 28.7 -10.2 64.6 84 94 A L H > S+ 0 0 9 2,-0.2 4,-1.8 -6,-0.2 -1,-0.2 0.934 114.4 46.2 -64.8 -49.0 25.6 -11.9 63.2 85 95 A V H X S+ 0 0 73 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.928 114.6 47.0 -61.9 -47.1 26.1 -15.1 65.3 86 96 A T H X S+ 0 0 8 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.876 108.7 55.3 -63.7 -40.1 26.8 -13.1 68.5 87 97 A S H <>S+ 0 0 0 -4,-2.1 5,-2.4 1,-0.2 4,-0.2 0.905 110.3 45.7 -58.2 -43.5 23.8 -10.8 68.0 88 98 A K H ><5S+ 0 0 123 -4,-1.8 3,-0.8 1,-0.2 -2,-0.2 0.872 111.7 52.1 -68.6 -38.6 21.5 -13.8 67.7 89 99 A Q H 3<5S+ 0 0 122 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.861 112.1 45.9 -62.6 -38.7 23.1 -15.4 70.8 90 100 A K T 3<5S- 0 0 113 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.403 112.2-122.3 -87.8 1.7 22.6 -12.2 72.8 91 101 A R T < 5 + 0 0 213 -3,-0.8 -3,-0.2 1,-0.2 -4,-0.1 0.790 55.2 156.7 59.6 31.7 19.0 -11.9 71.5 92 102 A I < - 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0 0 0 0, 0.0 29,-3.2 0, 0.0 2,-0.6 -0.370 14.0-138.1 -62.5 144.7 -27.2 70.9 76.0 827 376 B H B -n 855 0H 21 -28,-0.4 4,-0.2 27,-0.2 29,-0.2 -0.957 65.0 -6.0-112.9 115.2 -25.4 72.3 73.0 828 377 B R > - 0 0 75 27,-3.2 4,-1.3 -2,-0.6 -1,-0.1 0.507 59.5-122.2 79.2 140.9 -25.2 69.9 70.0 829 378 B Y H > S+ 0 0 35 27,-0.4 4,-2.9 2,-0.2 5,-0.2 0.838 112.5 58.9 -72.1 -37.7 -26.1 66.3 69.7 830 379 B S H > S+ 0 0 12 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.932 108.9 42.9 -60.2 -48.0 -22.6 65.5 68.7 831 380 B R H > S+ 0 0 7 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.897 112.7 52.7 -63.5 -42.2 -21.2 66.9 72.0 832 381 B T H < S+ 0 0 0 -4,-1.3 4,-0.3 33,-0.2 -2,-0.2 0.915 113.7 44.9 -61.2 -43.2 -24.0 65.2 74.0 833 382 B R H >< S+ 0 0 98 -4,-2.9 3,-0.9 32,-0.3 4,-0.2 0.941 114.8 46.9 -62.1 -50.6 -23.1 61.9 72.4 834 383 B D H 3< S+ 0 0 69 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.819 127.5 25.0 -66.4 -33.5 -19.3 62.3 72.8 835 384 B L T 3X S+ 0 0 21 -4,-2.4 4,-2.2 -5,-0.2 3,-0.4 0.033 80.9 131.5-122.1 25.0 -19.4 63.4 76.4 836 385 B F H <> S+ 0 0 34 -3,-0.9 4,-2.3 -4,-0.3 3,-0.1 0.871 73.7 45.1 -48.5 -56.1 -22.6 61.9 77.6 837 386 B D H > S+ 0 0 122 1,-0.2 4,-2.3 -4,-0.2 -1,-0.3 0.854 112.0 53.1 -62.7 -35.6 -21.4 60.2 80.8 838 387 B D H > S+ 0 0 88 -3,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.878 108.6 50.2 -66.7 -38.8 -19.4 63.3 81.8 839 388 B F H X S+ 0 0 0 -4,-2.2 4,-3.0 2,-0.2 5,-0.3 0.927 109.0 52.4 -63.3 -45.9 -22.6 65.4 81.4 840 389 B V H X S+ 0 0 8 -4,-2.3 4,-1.6 -5,-0.2 -2,-0.2 0.939 112.0 45.4 -55.3 -48.5 -24.5 63.0 83.5 841 390 B Q H < S+ 0 0 104 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.912 117.4 42.2 -64.8 -45.2 -22.0 63.2 86.3 842 391 B V H >< S+ 0 0 19 -4,-2.4 3,-1.5 1,-0.2 4,-0.2 0.925 114.5 49.1 -70.6 -42.5 -21.5 66.9 86.4 843 392 B L H >< S+ 0 0 0 -4,-3.0 3,-1.1 1,-0.3 -1,-0.2 0.774 100.0 67.1 -68.5 -25.7 -25.2 67.8 86.0 844 393 B S T 3< S+ 0 0 3 -4,-1.6 36,-0.5 -5,-0.3 -1,-0.3 0.533 86.6 73.4 -70.9 -4.8 -26.1 65.4 88.8 845 394 B Q T < S+ 0 0 98 -3,-1.5 -1,-0.2 -4,-0.2 -2,-0.2 0.647 77.2 91.2 -84.8 -18.0 -24.3 67.7 91.2 846 395 B V S < S- 0 0 6 -3,-1.1 34,-0.3 -4,-0.2 -25,-0.2 -0.318 76.8-129.0 -78.0 164.1 -26.9 70.5 91.3 847 396 B D S S+ 0 0 66 -27,-2.2 2,-0.3 1,-0.3 -26,-0.2 0.814 92.6 11.9 -83.9 -32.5 -29.7 70.7 93.8 848 397 B A E S-l 821 0G 10 -28,-1.1 -26,-2.5 32,-0.1 2,-0.4 -0.987 73.2-162.7-145.0 139.2 -32.5 71.1 91.3 849 398 B L E -l 822 0G 3 -2,-0.3 34,-2.4 32,-0.3 2,-0.5 -0.982 12.5-175.6-134.8 123.1 -32.3 70.7 87.5 850 399 B I E -lm 823 883G 0 -28,-3.2 -26,-2.8 -2,-0.4 2,-0.5 -0.959 18.7-156.3-106.5 132.7 -34.5 71.8 84.7 851 400 B X E -lm 824 884G 0 32,-3.0 34,-3.1 -2,-0.5 2,-0.2 -0.940 3.5-158.6-112.3 133.4 -33.4 70.5 81.3 852 401 B L E - m 0 885G 2 -28,-3.1 34,-0.2 -2,-0.5 3,-0.1 -0.670 38.3 -86.3 -96.0 161.1 -34.2 72.2 78.0 853 402 B D - 0 0 70 32,-0.5 -1,-0.1 -2,-0.2 13,-0.0 -0.266 61.1 -76.4 -63.4 155.2 -34.1 70.3 74.8 854 403 B V - 0 0 15 -29,-0.1 2,-0.8 1,-0.1 -27,-0.2 -0.227 37.5-130.0 -53.1 132.6 -30.8 70.0 72.9 855 404 B Y B -n 827 0H 91 -29,-3.2 -27,-3.2 1,-0.2 -1,-0.1 -0.840 22.2-156.2 -82.9 110.0 -29.8 73.2 71.1 856 405 B A > - 0 0 32 -2,-0.8 3,-1.6 -29,-0.2 -27,-0.4 0.789 0.7-157.2 -65.3 -33.2 -29.1 71.6 67.7 857 406 B A T 3 S- 0 0 33 1,-0.3 3,-0.1 -29,-0.1 -1,-0.1 0.890 78.7 -47.0 49.9 43.4 -26.7 74.3 66.4 858 407 B G T 3 S+ 0 0 82 1,-0.3 2,-0.3 -30,-0.0 -1,-0.3 0.411 111.4 128.6 85.3 -0.3 -27.5 73.0 62.9 859 408 B E < - 0 0 40 -3,-1.6 -1,-0.3 1,-0.1 3,-0.1 -0.643 60.7-119.0 -90.1 144.3 -27.0 69.3 63.7 860 409 B A - 0 0 75 -2,-0.3 -31,-0.2 1,-0.1 -1,-0.1 -0.487 46.2 -90.3 -69.9 147.6 -29.5 66.6 63.0 861 410 B P - 0 0 101 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.279 36.0-149.3 -60.3 145.5 -30.8 64.7 66.1 862 411 B I > - 0 0 52 3,-0.2 3,-2.0 -3,-0.1 -3,-0.0 -0.990 23.0-113.9-118.5 126.4 -28.8 61.7 67.3 863 412 B V T 3 S+ 0 0 148 -2,-0.5 0, 0.0 1,-0.3 0, 0.0 -0.328 100.7 11.8 -58.0 132.0 -30.7 58.9 69.1 864 413 B G T 3 S+ 0 0 34 1,-0.1 -1,-0.3 -2,-0.0 0, 0.0 0.333 107.3 91.2 83.9 -6.7 -29.7 58.6 72.7 865 414 B A < + 0 0 2 -3,-2.0 -32,-0.3 4,-0.1 -3,-0.2 -0.320 69.3 95.0-115.2 47.1 -27.9 61.9 72.7 866 415 B D S > S- 0 0 37 -34,-0.1 4,-2.3 -5,-0.1 5,-0.2 -0.693 87.5 -92.5-132.8-179.0 -30.7 64.2 73.8 867 416 B S H > S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.865 120.1 55.0 -71.9 -37.3 -32.2 65.8 76.8 868 417 B K H > S+ 0 0 121 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.906 111.3 47.9 -59.2 -39.1 -34.7 63.0 77.6 869 418 B S H > S+ 0 0 1 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.928 112.2 47.4 -67.3 -47.4 -31.7 60.6 77.6 870 419 B L H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.913 111.2 52.1 -58.8 -43.8 -29.6 62.8 79.9 871 420 B C H X S+ 0 0 3 -4,-2.9 4,-2.9 1,-0.2 -1,-0.2 0.909 109.9 49.2 -60.4 -43.4 -32.5 63.3 82.2 872 421 B R H X S+ 0 0 119 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.935 111.8 47.1 -60.1 -50.1 -33.0 59.6 82.5 873 422 B S H < S+ 0 0 31 -4,-2.4 4,-0.4 1,-0.2 -2,-0.2 0.859 115.8 45.4 -65.0 -36.3 -29.3 58.8 83.2 874 423 B I H ><>S+ 0 0 0 -4,-2.4 3,-1.6 -5,-0.2 5,-0.5 0.936 111.2 52.5 -68.4 -49.1 -29.2 61.6 85.8 875 424 B R H ><5S+ 0 0 99 -4,-2.9 3,-2.2 1,-0.3 -2,-0.2 0.878 99.6 65.1 -52.9 -43.4 -32.4 60.5 87.4 876 425 B N T 3<5S+ 0 0 124 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.738 88.3 68.6 -50.8 -29.7 -31.1 57.0 87.7 877 426 B L T < 5S- 0 0 70 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.660 103.2-129.9 -71.0 -16.8 -28.4 58.2 90.1 878 427 B G T < 5S+ 0 0 68 -3,-2.2 3,-0.1 -4,-0.3 -3,-0.1 0.671 79.2 90.8 79.4 17.3 -31.1 58.8 92.7 879 428 B K S S- 0 0 81 -3,-0.2 3,-2.2 1,-0.1 -1,-0.2 -0.862 70.5-167.5-101.1 98.6 -42.1 74.0 76.0 888 437 B T G > S+ 0 0 65 -2,-0.8 3,-1.4 1,-0.3 4,-0.4 0.656 79.8 75.9 -66.1 -16.2 -40.1 77.0 77.2 889 438 B S G 3 S+ 0 0 92 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.666 97.6 50.3 -64.0 -15.7 -43.2 79.1 77.5 890 439 B Q G <> S+ 0 0 107 -3,-2.2 4,-2.5 1,-0.1 -1,-0.3 0.428 81.9 96.5 -99.8 -3.1 -43.8 77.0 80.7 891 440 B L H <> S+ 0 0 4 -3,-1.4 4,-2.8 1,-0.2 5,-0.2 0.886 81.9 51.1 -56.0 -45.9 -40.3 77.5 82.1 892 441 B G H > S+ 0 0 18 -4,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.907 112.7 45.4 -58.8 -45.5 -41.3 80.4 84.4 893 442 B D H > S+ 0 0 111 -4,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.874 113.2 49.9 -68.2 -39.0 -44.2 78.4 85.9 894 443 B V H X S+ 0 0 24 -4,-2.5 4,-1.3 2,-0.2 -2,-0.2 0.935 112.9 46.9 -65.0 -46.3 -42.0 75.3 86.4 895 444 B L H >X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 3,-0.5 0.928 108.2 55.6 -58.8 -47.5 -39.3 77.3 88.1 896 445 B D H 3< S+ 0 0 25 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.855 106.6 52.2 -55.1 -36.4 -41.8 79.1 90.3 897 446 B Q H 3< S+ 0 0 153 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.838 118.4 34.0 -69.4 -35.0 -43.0 75.7 91.5 898 447 B I H << S+ 0 0 43 -4,-1.3 -2,-0.2 -3,-0.5 -1,-0.2 0.592 91.7 114.8-100.0 -12.1 -39.6 74.4 92.5 899 448 B I < - 0 0 6 -4,-2.2 2,-0.3 -5,-0.2 -108,-0.0 -0.234 42.8-168.2 -61.2 142.2 -37.9 77.6 93.7 900 449 B Q > - 0 0 103 -110,-0.1 3,-1.9 -81,-0.1 -111,-0.2 -0.933 38.8 -82.6-124.3 155.5 -36.9 78.1 97.3 901 450 B D T 3 S+ 0 0 122 -113,-0.5 -82,-0.2 -2,-0.3 -110,-0.2 -0.329 116.0 20.6 -56.2 130.2 -35.8 81.3 99.0 902 451 B G T 3 S+ 0 0 13 -112,-2.8 -1,-0.2 1,-0.3 -111,-0.2 0.374 85.2 155.8 92.3 -3.2 -32.1 82.0 98.4 903 452 B D < - 0 0 0 -3,-1.9 -111,-2.4 -113,-0.3 2,-0.6 -0.256 36.4-146.2 -55.5 137.0 -31.8 79.9 95.2 904 453 B L E -jk 792 820G 0 -85,-2.5 -83,-3.5 -113,-0.2 2,-0.6 -0.958 17.0-156.3 -96.8 123.9 -29.1 80.7 92.8 905 454 B I E -jk 793 821G 0 -113,-3.8 -111,-3.1 -2,-0.6 2,-0.7 -0.914 3.3-160.2-106.9 114.9 -30.4 79.8 89.3 906 455 B L E -jk 794 822G 0 -85,-3.2 -83,-3.0 -2,-0.6 2,-0.9 -0.860 6.2-156.9 -95.6 115.3 -27.8 79.1 86.7 907 456 B A E -jk 795 823G 1 -113,-3.2 -111,-2.7 -2,-0.7 2,-0.5 -0.851 30.8-164.5 -90.2 105.9 -29.1 79.4 83.2 908 457 B Q E +jk 796 824G 0 -85,-3.2 -83,-2.4 -2,-0.9 2,-0.2 -0.827 28.0 54.6-116.1 123.7 -26.5 77.1 81.6 909 458 B G - 0 0 1 -113,-2.8 -110,-0.2 -2,-0.5 -111,-0.1 -0.720 67.5-101.4 144.0 172.5 -25.4 76.6 78.1 910 459 B A S S+ 0 0 7 -85,-0.4 -1,-0.1 -2,-0.2 -113,-0.1 0.435 91.6 65.0-105.0 -2.8 -24.1 78.1 74.8 911 460 B G S > S- 0 0 5 -86,-0.3 3,-0.9 -3,-0.1 4,-0.3 0.307 113.7 -40.7 -97.5-138.1 -27.3 78.1 72.8 912 461 B S T >> S+ 0 0 37 1,-0.2 4,-2.3 2,-0.1 3,-0.6 0.486 103.9 101.2 -73.8 -2.0 -30.6 80.0 73.0 913 462 B V H 3> S+ 0 0 2 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.820 79.5 52.4 -53.3 -35.1 -30.7 79.4 76.8 914 463 B S H <> S+ 0 0 23 -3,-0.9 4,-2.3 2,-0.2 -1,-0.2 0.859 108.0 49.9 -71.5 -35.7 -29.6 83.0 77.4 915 464 B K H <> S+ 0 0 164 -3,-0.6 4,-2.0 -4,-0.3 -2,-0.2 0.907 113.9 47.4 -62.2 -41.9 -32.4 84.4 75.2 916 465 B I H X S+ 0 0 32 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.920 112.4 47.6 -66.5 -44.7 -34.7 82.3 77.2 917 466 B S H X S+ 0 0 2 -4,-2.7 4,-2.9 2,-0.2 -1,-0.2 0.862 110.7 52.0 -66.7 -37.6 -33.3 83.4 80.5 918 467 B R H X S+ 0 0 152 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.911 110.5 48.6 -61.1 -43.7 -33.5 87.0 79.4 919 468 B G H X S+ 0 0 33 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.856 111.7 50.0 -64.4 -37.1 -37.1 86.5 78.5 920 469 B L H X S+ 0 0 10 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.930 112.1 46.7 -63.4 -49.7 -37.6 84.9 81.9 921 470 B A H < S+ 0 0 16 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.881 110.8 53.3 -60.3 -41.6 -36.0 87.8 83.7 922 471 B E H < S+ 0 0 127 -4,-2.7 -1,-0.2 2,-0.2 -2,-0.2 0.893 108.8 48.4 -61.7 -43.7 -38.0 90.3 81.6 923 472 B S H < 0 0 89 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.885 360.0 360.0 -63.3 -40.4 -41.3 88.6 82.6 924 473 B W < 0 0 50 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.503 360.0 360.0 -73.3 360.0 -40.1 88.7 86.2