==== 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 LIGASE 16-APR-03 1P31 . 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,R.A.WIJNAND . 928 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39403.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 670 72.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 144 15.5 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 . 75 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 98 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 261 28.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.5 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 1 0 2 0 7 2 5 4 2 2 4 0 0 2 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 12 A I 0 0 103 0, 0.0 2,-0.1 0, 0.0 106,-0.0 0.000 360.0 360.0 360.0 107.7 68.5 39.5 -2.9 2 13 A P - 0 0 69 0, 0.0 2,-0.2 0, 0.0 104,-0.1 -0.362 360.0-108.0 -77.0 156.5 68.5 38.2 -6.5 3 14 A E - 0 0 131 -2,-0.1 2,-0.4 1,-0.1 3,-0.0 -0.587 40.7-104.2 -78.0 146.5 68.2 40.4 -9.6 4 15 A X > - 0 0 48 -2,-0.2 3,-2.0 3,-0.1 -1,-0.1 -0.620 46.3 -97.7 -75.3 128.6 64.9 40.3 -11.4 5 16 A R T 3 S- 0 0 199 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 -0.190 97.4 -12.1 -54.6 122.4 65.2 38.2 -14.6 6 17 A R T 3 S+ 0 0 199 1,-0.2 2,-0.8 2,-0.0 -1,-0.3 0.528 93.9 137.1 66.5 8.4 65.7 40.4 -17.7 7 18 A V < + 0 0 31 -3,-2.0 -1,-0.2 1,-0.2 -3,-0.1 -0.788 11.1 150.1 -87.4 110.0 64.8 43.6 -15.8 8 19 A Q + 0 0 149 -2,-0.8 25,-2.4 1,-0.4 2,-0.4 0.798 65.0 22.8-104.3 -48.9 67.3 46.2 -17.0 9 20 A Q E -a 33 0A 40 57,-0.3 59,-3.1 23,-0.2 60,-1.1 -0.977 62.9-158.0-129.9 132.1 65.4 49.4 -16.7 10 21 A I E -ab 34 69A 0 23,-2.7 25,-2.4 -2,-0.4 2,-0.5 -0.949 9.9-157.8-113.0 125.5 62.3 50.3 -14.7 11 22 A H E -ab 35 70A 0 58,-2.7 60,-3.5 -2,-0.5 2,-0.5 -0.890 2.5-159.2-106.8 132.9 60.1 53.1 -15.7 12 23 A F E > -ab 36 71A 0 23,-2.0 25,-2.4 -2,-0.5 2,-0.8 -0.937 7.4-154.3-112.4 122.6 57.9 54.9 -13.2 13 24 A I E 3 S+ab 37 72A 0 58,-2.8 60,-1.8 -2,-0.5 63,-0.2 -0.875 94.1 17.1 -94.0 111.6 54.9 56.9 -14.4 14 25 A G T > S+ 0 0 8 23,-2.8 3,-2.0 -2,-0.8 -1,-0.3 0.786 79.2 169.4 92.9 41.7 54.4 59.5 -11.5 15 26 A I T < + 0 0 0 22,-2.2 9,-0.2 -3,-0.7 23,-0.1 0.684 66.9 65.7 -64.4 -21.8 57.8 58.9 -10.1 16 27 A G T 3 S+ 0 0 23 21,-0.3 -1,-0.3 24,-0.1 28,-0.1 0.504 75.8 121.0 -77.8 -4.7 57.6 61.9 -7.8 17 28 A G S <> S- 0 0 23 -3,-2.0 4,-3.0 1,-0.1 5,-0.3 -0.226 76.4-115.8 -58.7 148.6 54.8 60.2 -5.8 18 29 A A H > S+ 0 0 50 1,-0.2 4,-0.7 2,-0.2 124,-0.1 0.893 115.8 28.4 -54.1 -44.8 55.5 59.6 -2.1 19 30 A G H > S+ 0 0 16 2,-0.2 4,-1.8 122,-0.1 -1,-0.2 0.858 119.5 56.3 -85.0 -39.5 55.4 55.8 -2.5 20 31 A X H > S+ 0 0 2 1,-0.2 4,-2.3 -6,-0.2 -2,-0.2 0.906 105.9 50.8 -55.1 -46.1 56.6 55.7 -6.1 21 32 A S H X S+ 0 0 2 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.827 106.6 53.7 -69.5 -34.5 59.8 57.6 -5.3 22 33 A G H X S+ 0 0 0 -4,-0.7 4,-2.1 -5,-0.3 -1,-0.2 0.918 110.4 46.7 -64.1 -44.7 60.8 55.4 -2.4 23 34 A I H X S+ 0 0 0 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.914 111.3 52.1 -64.2 -42.6 60.5 52.3 -4.6 24 35 A A H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.899 109.1 50.5 -59.9 -41.8 62.5 54.0 -7.4 25 36 A E H X S+ 0 0 5 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.904 109.6 50.5 -64.2 -41.9 65.2 54.9 -4.9 26 37 A I H X S+ 0 0 0 -4,-2.1 4,-1.2 2,-0.2 -2,-0.2 0.961 115.0 43.1 -57.6 -51.8 65.5 51.3 -3.6 27 38 A L H X>S+ 0 0 3 -4,-2.4 5,-2.2 1,-0.2 4,-0.7 0.868 111.3 53.6 -70.0 -36.9 65.8 49.9 -7.2 28 39 A L H ><5S+ 0 0 24 -4,-2.8 3,-1.0 1,-0.2 -1,-0.2 0.930 110.5 48.0 -57.4 -46.1 68.2 52.6 -8.3 29 40 A N H 3<5S+ 0 0 90 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.695 104.1 60.3 -71.9 -18.8 70.4 51.7 -5.3 30 41 A E H 3<5S- 0 0 45 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.2 0.635 126.1-101.5 -78.6 -16.6 70.1 48.0 -6.2 31 42 A G T <<5S+ 0 0 52 -3,-1.0 -3,-0.2 -4,-0.7 2,-0.2 0.490 75.1 138.3 110.5 5.5 71.7 48.9 -9.6 32 43 A Y < - 0 0 7 -5,-2.2 2,-0.4 1,-0.1 -1,-0.3 -0.515 59.9-111.2 -75.4 149.3 68.7 49.0 -11.9 33 44 A Q E -a 9 0A 108 -25,-2.4 -23,-2.7 -2,-0.2 2,-0.4 -0.693 39.7-156.3 -76.5 134.0 68.5 51.7 -14.5 34 45 A I E +a 10 0A 1 -2,-0.4 20,-2.9 18,-0.3 2,-0.3 -0.953 20.1 169.7-122.4 130.5 65.6 54.0 -13.5 35 46 A S E +ac 11 54A 1 -25,-2.4 -23,-2.0 -2,-0.4 2,-0.3 -0.916 10.5 162.8-127.5 162.0 63.6 56.3 -15.7 36 47 A G E -ac 12 55A 0 18,-2.2 20,-2.5 -2,-0.3 2,-0.3 -0.977 24.1-142.5-170.2 159.4 60.4 58.1 -14.8 37 48 A S E +ac 13 56A 0 -25,-2.4 -23,-2.8 -2,-0.3 -22,-2.2 -0.919 17.9 170.9-126.2 157.8 58.0 60.9 -15.6 38 49 A D E - c 0 57A 23 18,-1.6 20,-2.6 -2,-0.3 -2,-0.0 -0.965 39.1-129.2-157.3 153.9 56.0 63.3 -13.5 39 50 A I S S+ 0 0 134 -2,-0.3 2,-0.4 18,-0.2 18,-0.1 0.575 96.0 50.1 -79.7 -9.7 53.8 66.3 -14.1 40 51 A A - 0 0 56 18,-0.1 2,-0.6 2,-0.0 -24,-0.1 -0.988 67.7-148.5-135.1 140.6 55.8 68.2 -11.4 41 52 A D + 0 0 89 -2,-0.4 2,-0.2 4,-0.1 16,-0.0 -0.931 39.6 135.4-106.5 120.0 59.5 68.7 -10.6 42 53 A G > - 0 0 30 -2,-0.6 4,-2.8 0, 0.0 5,-0.2 -0.711 68.8 -58.7-142.5-165.9 60.4 69.0 -6.9 43 54 A V H > S+ 0 0 118 1,-0.2 4,-2.3 -2,-0.2 5,-0.2 0.860 129.0 51.2 -48.6 -43.4 62.8 68.0 -4.2 44 55 A V H > S+ 0 0 44 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.940 112.9 41.4 -65.2 -51.7 61.9 64.3 -4.8 45 56 A T H > S+ 0 0 3 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.881 114.5 53.4 -65.6 -36.6 62.5 64.2 -8.5 46 57 A Q H X S+ 0 0 102 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.927 109.3 48.2 -64.0 -44.6 65.6 66.4 -8.2 47 58 A R H X S+ 0 0 72 -4,-2.3 4,-2.0 -5,-0.2 -2,-0.2 0.937 113.5 47.5 -58.3 -48.8 67.1 64.0 -5.6 48 59 A L H X>S+ 0 0 0 -4,-2.3 5,-2.8 1,-0.2 4,-1.0 0.907 112.5 48.6 -61.8 -43.8 66.3 61.0 -7.9 49 60 A A H <5S+ 0 0 47 -4,-2.8 3,-0.4 3,-0.2 -1,-0.2 0.888 109.9 52.0 -61.8 -42.0 67.8 62.7 -10.9 50 61 A Q H <5S+ 0 0 178 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.868 106.9 53.5 -63.5 -36.6 70.9 63.6 -9.0 51 62 A A H <5S- 0 0 61 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.716 133.4 -91.0 -69.7 -23.9 71.3 60.0 -7.9 52 63 A G T <5S+ 0 0 25 -4,-1.0 -18,-0.3 -3,-0.4 -3,-0.2 0.455 78.8 138.9 125.6 6.0 71.1 59.0 -11.6 53 64 A A < - 0 0 6 -5,-2.8 2,-0.8 -6,-0.2 -1,-0.3 -0.499 55.3-123.7 -70.2 146.1 67.5 58.3 -12.4 54 65 A K E -c 35 0A 103 -20,-2.9 -18,-2.2 -2,-0.2 2,-0.4 -0.863 36.2-170.6 -95.9 107.7 66.4 59.7 -15.8 55 66 A I E -c 36 0A 35 -2,-0.8 2,-0.4 -20,-0.2 -18,-0.2 -0.867 11.8-170.0-108.6 134.7 63.5 62.0 -15.0 56 67 A Y E -c 37 0A 91 -20,-2.5 -18,-1.6 -2,-0.4 2,-0.6 -0.948 15.8-142.5-117.7 138.9 61.2 63.6 -17.5 57 68 A I E S+c 38 0A 88 -2,-0.4 -18,-0.2 -20,-0.2 2,-0.1 -0.916 75.2 23.8-101.3 125.3 58.7 66.3 -16.6 58 69 A G S S- 0 0 28 -20,-2.6 2,-0.4 -2,-0.6 -20,-0.3 -0.168 93.7 -85.7 99.8 158.3 55.5 65.9 -18.6 59 70 A H + 0 0 54 -22,-0.1 2,-0.3 -2,-0.1 3,-0.1 -0.873 50.7 154.8-107.9 135.6 54.2 62.7 -20.2 60 71 A A > - 0 0 24 -2,-0.4 3,-2.0 1,-0.1 4,-0.4 -0.966 49.3-122.2-156.4 140.8 55.2 61.4 -23.6 61 72 A E G > S+ 0 0 105 -2,-0.3 3,-1.3 1,-0.3 4,-0.1 0.825 110.3 64.6 -53.8 -33.4 55.3 57.9 -25.3 62 73 A E G > S+ 0 0 136 1,-0.2 3,-1.6 2,-0.1 -1,-0.3 0.736 84.8 74.9 -60.5 -27.0 59.0 58.4 -25.9 63 74 A H G < S+ 0 0 31 -3,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.741 87.6 60.0 -61.1 -25.7 59.8 58.5 -22.1 64 75 A I G X S+ 0 0 5 -3,-1.3 3,-2.6 -4,-0.4 -1,-0.3 0.493 72.4 136.7 -83.2 -3.3 59.3 54.7 -21.8 65 76 A E T < S+ 0 0 158 -3,-1.6 -3,-0.0 1,-0.3 -4,-0.0 -0.199 75.6 10.9 -49.5 121.7 62.1 53.9 -24.3 66 77 A G T 3 S+ 0 0 48 1,-0.3 -57,-0.3 2,-0.0 -1,-0.3 0.287 88.8 148.6 93.7 -9.6 64.2 51.0 -23.0 67 78 A A < - 0 0 12 -3,-2.6 -1,-0.3 1,-0.2 -57,-0.2 -0.368 32.5-171.2 -65.0 131.9 61.9 50.1 -20.1 68 79 A S S S+ 0 0 31 -59,-3.1 2,-0.3 1,-0.4 -58,-0.2 0.702 82.0 5.8 -85.9 -27.9 61.8 46.4 -19.1 69 80 A V E -b 10 0A 10 -60,-1.1 -58,-2.7 22,-0.2 2,-0.4 -0.978 68.7-141.0-154.9 147.2 58.8 47.1 -16.9 70 81 A V E -bd 11 93A 0 22,-2.8 24,-2.7 -2,-0.3 2,-0.5 -0.961 10.9-158.4-115.9 131.4 56.6 50.1 -16.2 71 82 A V E -bd 12 94A 0 -60,-3.5 -58,-2.8 -2,-0.4 2,-0.4 -0.948 14.3-158.4-110.5 129.6 55.4 50.9 -12.7 72 83 A V E -bd 13 95A 22 22,-2.8 24,-1.3 -2,-0.5 2,-0.2 -0.906 11.1-134.0-118.9 134.7 52.3 53.1 -12.5 73 84 A S > - 0 0 26 -60,-1.8 3,-1.9 -2,-0.4 -58,-0.1 -0.553 24.9-122.1 -77.5 148.7 50.9 55.3 -9.7 74 85 A S T 3 S+ 0 0 83 1,-0.3 -1,-0.1 -2,-0.2 -60,-0.1 0.671 112.0 68.2 -59.5 -18.5 47.2 55.1 -8.9 75 86 A A T 3 S+ 0 0 84 -61,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.667 79.9 100.2 -74.4 -18.1 47.1 58.8 -9.6 76 87 A I S < S- 0 0 33 -3,-1.9 2,-0.1 -63,-0.2 -4,-0.0 -0.502 71.0-130.3 -78.3 136.9 47.8 58.1 -13.3 77 88 A K > - 0 0 158 -2,-0.2 3,-1.4 1,-0.1 6,-0.2 -0.448 18.2-117.8 -84.2 157.0 44.9 58.2 -15.8 78 89 A D T 3 S+ 0 0 124 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.0 0.653 113.2 59.1 -71.3 -13.4 44.2 55.4 -18.3 79 90 A D T 3 S+ 0 0 136 4,-0.1 -1,-0.3 5,-0.0 5,-0.1 0.506 73.5 132.3 -91.0 -7.9 44.7 57.9 -21.2 80 91 A N <> - 0 0 14 -3,-1.4 4,-2.5 1,-0.1 3,-0.3 -0.208 59.2-135.9 -46.9 126.7 48.3 58.6 -20.1 81 92 A P H > S+ 0 0 53 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.809 101.8 49.9 -62.6 -33.5 50.5 58.3 -23.2 82 93 A E H > S+ 0 0 0 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.847 113.1 47.3 -72.7 -34.1 53.3 56.4 -21.5 83 94 A L H > S+ 0 0 8 -3,-0.3 4,-1.7 2,-0.2 5,-0.2 0.919 111.6 48.4 -73.1 -47.8 50.8 53.9 -20.1 84 95 A V H X S+ 0 0 60 -4,-2.5 4,-1.3 1,-0.2 -2,-0.2 0.931 115.1 45.7 -58.0 -49.2 48.9 53.3 -23.4 85 96 A T H X S+ 0 0 9 -4,-1.7 4,-1.5 -5,-0.2 -1,-0.2 0.833 106.1 59.2 -65.8 -37.1 52.1 52.8 -25.3 86 97 A S H <>S+ 0 0 0 -4,-1.6 5,-2.1 1,-0.2 3,-0.3 0.914 107.2 46.9 -58.3 -45.1 53.6 50.4 -22.7 87 98 A K H ><5S+ 0 0 112 -4,-1.7 3,-1.1 1,-0.2 -1,-0.2 0.844 108.8 55.8 -65.6 -34.5 50.7 48.0 -23.1 88 99 A Q H 3<5S+ 0 0 144 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.792 108.0 47.8 -67.6 -31.0 51.0 48.2 -26.9 89 100 A K T 3<5S- 0 0 137 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.283 114.1-117.8 -94.3 8.6 54.7 47.2 -26.7 90 101 A R T < 5 + 0 0 233 -3,-1.1 -3,-0.2 1,-0.2 -2,-0.1 0.697 60.0 155.2 58.4 25.2 53.8 44.3 -24.4 91 102 A I < - 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m 0 890G 2 -28,-2.8 34,-0.2 -2,-0.4 3,-0.1 -0.759 36.8 -86.9-101.9 159.0 1.1 53.5 11.5 858 402 B D - 0 0 70 32,-0.6 -1,-0.1 -2,-0.3 13,-0.0 -0.279 60.0 -81.9 -58.7 150.5 -1.9 52.3 9.5 859 403 B V - 0 0 14 -29,-0.1 2,-0.8 1,-0.1 -27,-0.2 -0.270 36.8-127.3 -53.4 133.4 -2.5 48.6 9.3 860 404 B Y B -n 832 0H 92 -29,-3.4 -27,-3.2 1,-0.2 -1,-0.1 -0.819 23.5-158.8 -83.1 110.0 -0.3 46.8 6.7 861 405 B A > - 0 0 30 -2,-0.8 3,-1.5 -29,-0.2 -27,-0.4 0.815 2.1-158.3 -68.0 -33.7 -3.1 45.0 4.8 862 406 B A T 3 S- 0 0 33 1,-0.3 3,-0.1 -29,-0.1 -1,-0.1 0.897 79.7 -45.2 50.2 43.6 -1.0 42.3 3.2 863 407 B G T 3 S+ 0 0 54 1,-0.3 -1,-0.3 -319,-0.0 2,-0.2 0.349 110.1 130.7 88.7 -4.7 -3.8 41.9 0.6 864 408 B E < - 0 0 40 -3,-1.5 -1,-0.3 1,-0.1 3,-0.1 -0.574 59.2-120.8 -86.4 143.6 -6.6 41.9 3.1 865 409 B A - 0 0 76 -2,-0.2 -31,-0.1 1,-0.1 -1,-0.1 -0.525 46.5 -90.4 -71.2 146.3 -9.8 44.1 2.8 866 410 B P - 0 0 100 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.281 35.2-145.4 -61.3 145.5 -10.2 46.4 5.8 867 411 B I > - 0 0 45 3,-0.1 3,-2.2 -3,-0.1 2,-0.0 -0.969 23.3-113.9-114.3 124.6 -12.2 45.2 8.8 868 412 B V T 3 S+ 0 0 149 -2,-0.5 0, 0.0 1,-0.3 0, 0.0 -0.320 101.5 13.9 -58.5 130.8 -14.4 47.7 10.7 869 413 B G T 3 S+ 0 0 36 1,-0.0 -1,-0.3 -2,-0.0 0, 0.0 0.367 109.7 87.7 86.5 -3.5 -13.0 48.3 14.2 870 414 B A < + 0 0 2 -3,-2.2 2,-0.2 4,-0.1 -32,-0.2 -0.099 64.2 99.8-120.1 32.4 -9.7 46.6 13.4 871 415 B D S > S- 0 0 54 -34,-0.1 4,-2.2 -5,-0.1 3,-0.3 -0.614 87.4 -97.4-112.2 176.7 -7.7 49.4 12.1 872 416 B S H > S+ 0 0 1 1,-0.2 4,-2.8 2,-0.2 5,-0.1 0.797 121.1 58.7 -67.2 -32.9 -5.0 51.6 13.7 873 417 B K H > S+ 0 0 144 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.905 109.1 45.7 -58.1 -44.3 -7.5 54.4 14.4 874 418 B S H > S+ 0 0 33 -3,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.907 112.3 50.4 -67.6 -43.9 -9.5 51.9 16.5 875 419 B L H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.931 110.0 50.8 -58.3 -48.1 -6.4 50.6 18.2 876 420 B C H X S+ 0 0 4 -4,-2.8 4,-2.9 1,-0.2 -2,-0.2 0.883 109.1 50.9 -56.5 -44.0 -5.3 54.2 19.1 877 421 B R H X S+ 0 0 174 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.924 113.6 44.5 -60.1 -46.1 -8.7 54.9 20.6 878 422 B S H X S+ 0 0 35 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.870 113.6 49.5 -69.9 -37.2 -8.6 51.8 22.8 879 423 B I H X S+ 0 0 0 -4,-2.7 4,-1.6 2,-0.2 5,-0.5 0.953 112.2 48.6 -63.6 -48.2 -5.0 52.4 23.8 880 424 B R H < S+ 0 0 114 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.893 109.9 53.5 -55.3 -42.2 -5.9 56.0 24.7 881 425 B N H < S+ 0 0 116 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.866 102.3 56.6 -62.5 -38.5 -8.9 54.7 26.6 882 426 B L H < S- 0 0 90 -4,-1.9 -1,-0.2 -3,-0.2 -2,-0.2 0.854 101.1-145.7 -63.8 -36.1 -6.7 52.3 28.6 883 427 B G < + 0 0 59 -4,-1.6 -3,-0.1 2,-0.3 3,-0.1 0.443 66.8 104.6 94.5 3.3 -4.7 55.5 29.6 884 428 B K S S+ 0 0 142 -5,-0.5 2,-0.3 1,-0.3 -4,-0.1 0.852 90.3 13.7 -83.4 -37.9 -1.1 54.4 29.9 885 429 B V - 0 0 14 -6,-0.4 -2,-0.3 -32,-0.0 -1,-0.3 -0.987 65.0-138.7-140.8 145.1 0.1 56.0 26.7 886 430 B D - 0 0 112 -2,-0.3 -32,-0.4 -3,-0.1 2,-0.1 -0.916 31.3-149.3-105.7 103.9 -1.3 58.5 24.3 887 431 B P - 0 0 2 0, 0.0 2,-0.5 0, 0.0 -32,-0.2 -0.352 5.3-143.2 -78.9 152.9 -0.6 57.3 20.8 888 432 B I E -m 855 0G 67 -34,-2.2 -32,-2.9 -2,-0.1 2,-0.5 -0.983 13.8-143.7-111.4 123.2 0.0 59.4 17.7 889 433 B L E -m 856 0G 51 -2,-0.5 2,-0.6 -34,-0.2 -32,-0.2 -0.761 13.6-169.1 -86.5 126.3 -1.3 58.0 14.4 890 434 B V E +m 857 0G 7 -34,-3.1 -32,-0.6 -2,-0.5 3,-0.1 -0.934 16.9 164.9-118.0 104.3 0.9 58.8 11.4 891 435 B S S S+ 0 0 66 -2,-0.6 2,-1.0 1,-0.2 -1,-0.1 0.824 71.7 58.8 -88.1 -34.8 -0.8 58.0 8.2 892 436 B D S > S- 0 0 78 1,-0.1 3,-2.2 -35,-0.0 -1,-0.2 -0.821 71.4-167.9 -95.4 99.3 1.6 59.9 5.9 893 437 B T G > S+ 0 0 54 -2,-1.0 3,-1.2 1,-0.3 4,-0.4 0.611 78.8 76.6 -73.6 -8.3 4.8 58.2 6.8 894 438 B S G 3 S+ 0 0 92 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.740 97.3 50.8 -64.9 -19.1 6.8 61.0 5.0 895 439 B Q G <> S+ 0 0 98 -3,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.433 81.1 98.1 -94.7 -0.9 6.0 62.9 8.2 896 440 B L H <> S+ 0 0 2 -3,-1.2 4,-2.7 1,-0.2 5,-0.2 0.885 81.7 51.1 -57.3 -44.4 7.2 60.2 10.5 897 441 B G H > S+ 0 0 13 -4,-0.4 4,-2.8 -3,-0.2 -1,-0.2 0.888 110.4 49.9 -57.7 -42.4 10.6 61.8 11.0 898 442 B D H > S+ 0 0 89 -4,-0.2 4,-1.4 -3,-0.2 -2,-0.2 0.894 111.1 47.8 -64.8 -43.8 8.9 65.1 11.9 899 443 B V H X S+ 0 0 19 -4,-2.4 4,-1.2 2,-0.2 3,-0.4 0.938 113.4 48.4 -63.6 -45.9 6.6 63.5 14.4 900 444 B L H >X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 3,-0.8 0.931 108.5 54.1 -58.6 -47.3 9.5 61.6 16.0 901 445 B D H 3< S+ 0 0 29 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.783 106.4 53.6 -58.2 -29.4 11.6 64.8 16.1 902 446 B Q H 3< S+ 0 0 143 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.797 120.6 29.6 -74.6 -28.2 8.7 66.5 18.0 903 447 B I H << S+ 0 0 42 -4,-1.2 -2,-0.2 -3,-0.8 -1,-0.1 0.616 89.7 118.3-109.9 -15.4 8.6 63.8 20.7 904 448 B I < - 0 0 8 -4,-2.5 2,-0.3 -5,-0.2 -108,-0.0 -0.183 39.7-168.9 -57.8 140.7 12.2 62.5 21.0 905 449 B Q > - 0 0 105 -110,-0.1 3,-1.8 -81,-0.1 -111,-0.2 -0.933 39.0 -81.0-125.0 155.7 14.1 62.8 24.2 906 450 B D T 3 S+ 0 0 105 -113,-0.4 -82,-0.3 -2,-0.3 -110,-0.1 -0.278 116.2 20.1 -56.9 131.7 17.8 62.2 24.7 907 451 B G T 3 S+ 0 0 15 -112,-2.5 -1,-0.3 1,-0.2 -111,-0.2 0.488 85.5 159.7 88.0 5.6 18.6 58.5 25.1 908 452 B D < - 0 0 1 -3,-1.8 -111,-2.6 -113,-0.3 2,-0.6 -0.324 34.3-146.5 -62.2 136.0 15.4 57.2 23.5 909 453 B L E -jk 797 825G 0 -85,-2.7 -83,-3.3 -113,-0.2 2,-0.6 -0.952 16.6-157.9 -98.3 117.1 15.3 53.7 22.1 910 454 B I E -jk 798 826G 0 -113,-3.6 -111,-3.2 -2,-0.6 2,-0.7 -0.893 3.7-162.4-101.4 118.5 13.1 53.7 19.1 911 455 B L E -jk 799 827G 0 -85,-3.1 -83,-3.2 -2,-0.6 2,-0.9 -0.899 7.5-157.6-101.2 111.7 11.6 50.4 18.1 912 456 B A E -jk 800 828G 0 -113,-3.2 -111,-2.9 -2,-0.7 2,-0.5 -0.849 30.1-166.6 -85.9 107.0 10.3 50.2 14.5 913 457 B Q E +jk 801 829G 0 -85,-3.2 -83,-2.4 -2,-0.9 2,-0.2 -0.848 26.9 59.5-117.7 126.4 7.9 47.3 15.1 914 458 B G - 0 0 0 -113,-2.9 -110,-0.2 -2,-0.5 -111,-0.1 -0.691 67.8-102.1 141.8 166.8 6.0 45.1 12.7 915 459 B A S S+ 0 0 7 -85,-0.4 -113,-0.1 -2,-0.2 -1,-0.1 0.457 92.5 62.9 -97.3 -4.5 6.1 42.5 9.9 916 460 B G S > S- 0 0 7 -86,-0.4 3,-1.1 -3,-0.1 4,-0.3 0.250 113.6 -42.2-102.3-139.5 5.2 44.8 7.0 917 461 B S T 3> S+ 0 0 40 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.491 105.0 97.7 -73.2 -4.8 6.6 47.9 5.3 918 462 B V H 3> S+ 0 0 1 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.840 81.1 55.4 -53.5 -33.6 7.5 49.4 8.7 919 463 B S H <> S+ 0 0 7 -3,-1.1 4,-2.2 2,-0.2 -1,-0.2 0.940 108.7 44.4 -65.9 -48.3 11.1 48.1 8.1 920 464 B K H > S+ 0 0 176 -4,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.884 114.8 51.6 -59.5 -40.5 11.5 49.8 4.7 921 465 B I H X S+ 0 0 36 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.922 111.4 45.6 -63.7 -45.3 10.0 53.0 6.3 922 466 B S H X S+ 0 0 1 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.839 111.9 51.0 -69.7 -34.7 12.4 52.9 9.3 923 467 B R H X S+ 0 0 91 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.881 108.9 51.4 -73.3 -35.1 15.4 52.3 7.1 924 468 B G H X S+ 0 0 45 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.869 111.5 49.6 -59.9 -38.9 14.3 55.2 4.9 925 469 B L H X S+ 0 0 12 -4,-1.7 4,-1.1 2,-0.2 -2,-0.2 0.904 108.6 51.2 -64.9 -45.9 14.2 57.2 8.2 926 470 B A H < S+ 0 0 7 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.878 112.1 46.6 -61.0 -40.8 17.6 56.0 9.2 927 471 B E H < S+ 0 0 169 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.797 108.6 55.3 -72.5 -30.8 19.1 57.1 5.9 928 472 B S H < 0 0 92 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.729 360.0 360.0 -66.9 -25.1 17.2 60.4 6.2 929 473 B W < 0 0 51 -4,-1.1 -2,-0.2 -3,-0.1 -1,-0.2 0.382 360.0 360.0 -99.0 360.0 19.0 60.8 9.5