==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 05-NOV-12 4HV4 . COMPND 2 MOLECULE: UDP-N-ACETYLMURAMATE--L-ALANINE LIGASE; . SOURCE 2 ORGANISM_SCIENTIFIC: YERSINIA PESTIS; . AUTHOR A.S.HALAVATY,G.MINASOV,I.DUBROVSKA,J.WINSOR,L.SHUVALOVA,S.PE . 927 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38818.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 661 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 145 15.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 59 6.4 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 64 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 104 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 252 27.2 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 2 0 4 0 8 3 6 0 1 2 4 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 8 9 5 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 PARALLEL BRIDGES PER LADDER . 2 0 2 0 2 3 1 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 19 A V 0 0 118 0, 0.0 3,-0.1 0, 0.0 62,-0.0 0.000 360.0 360.0 360.0 136.5 15.4 26.0 41.5 2 20 A R + 0 0 194 1,-0.2 25,-3.4 24,-0.1 2,-0.6 0.704 360.0 46.4-128.7 -42.7 11.7 26.0 40.9 3 21 A H E -a 27 0A 10 23,-0.2 59,-3.2 57,-0.2 60,-1.1 -0.904 54.0-177.0-122.8 108.3 10.3 29.2 39.5 4 22 A I E -ab 28 63A 4 23,-2.6 25,-2.4 -2,-0.6 2,-0.4 -0.884 9.0-163.1-101.9 127.6 11.9 31.2 36.7 5 23 A H E -ab 29 64A 0 58,-2.2 60,-3.0 -2,-0.5 2,-0.5 -0.936 2.9-155.8-115.7 130.7 10.4 34.6 35.7 6 24 A F E > -ab 30 65A 0 23,-2.1 25,-1.9 -2,-0.4 3,-1.0 -0.913 6.7-152.4-109.6 117.4 11.1 36.4 32.4 7 25 A V E 3 S+ab 31 66A 0 58,-2.8 60,-0.9 -2,-0.5 63,-0.1 -0.778 95.1 15.4 -87.1 107.7 10.8 40.2 32.0 8 26 A G T > S+ 0 0 9 23,-2.2 3,-1.8 -2,-0.9 -1,-0.3 0.697 78.7 163.7 97.5 32.2 10.0 40.5 28.2 9 27 A I T < + 0 0 0 22,-1.4 23,-0.2 -3,-1.0 9,-0.1 0.711 62.0 70.4 -56.5 -19.8 9.2 36.8 27.8 10 28 A G T 3 S+ 0 0 4 21,-0.5 -1,-0.3 -4,-0.1 28,-0.2 0.661 81.5 87.6 -76.5 -18.1 7.5 37.6 24.4 11 29 A G S <> S- 0 0 32 -3,-1.8 4,-2.3 1,-0.1 5,-0.2 -0.270 89.7 -89.1 -81.1 166.1 10.6 38.4 22.4 12 30 A A T 4 S+ 0 0 68 1,-0.2 2,-1.0 2,-0.2 -1,-0.1 -0.463 114.9 30.3 -67.1 144.7 13.0 36.2 20.5 13 31 A G T > S+ 0 0 8 121,-0.4 4,-1.3 -2,-0.1 -1,-0.2 -0.614 119.8 53.1 100.8 -68.9 15.8 35.0 22.7 14 32 A M H > S+ 0 0 4 -2,-1.0 4,-2.2 -6,-0.2 -2,-0.2 0.889 104.4 55.8 -65.8 -41.3 13.7 35.0 25.9 15 33 A G H X S+ 0 0 4 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.837 105.6 48.4 -60.9 -44.7 10.9 32.8 24.5 16 34 A G H > S+ 0 0 3 2,-0.2 4,-2.2 -5,-0.2 -1,-0.2 0.908 112.0 49.3 -64.6 -45.0 13.0 29.9 23.4 17 35 A I H X S+ 0 0 0 -4,-1.3 4,-2.4 2,-0.2 5,-0.2 0.946 111.1 49.5 -60.6 -47.0 14.8 29.7 26.7 18 36 A A H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.883 110.3 52.4 -59.6 -40.0 11.5 29.8 28.6 19 37 A E H X S+ 0 0 16 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.875 109.2 47.4 -66.1 -39.9 10.1 27.1 26.4 20 38 A V H X S+ 0 0 0 -4,-2.2 4,-1.1 1,-0.2 -2,-0.2 0.936 113.0 48.9 -68.1 -43.6 13.0 24.7 27.0 21 39 A L H <>S+ 0 0 7 -4,-2.4 5,-1.9 2,-0.2 -2,-0.2 0.828 108.6 54.7 -63.7 -34.0 12.9 25.3 30.8 22 40 A A H ><5S+ 0 0 18 -4,-2.0 3,-2.2 1,-0.2 -1,-0.2 0.950 107.2 49.6 -62.9 -48.6 9.1 24.6 30.7 23 41 A N H 3<5S+ 0 0 81 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.721 104.4 59.3 -64.1 -22.3 9.6 21.3 29.0 24 42 A E T 3<5S- 0 0 70 -4,-1.1 -1,-0.3 -5,-0.1 -2,-0.2 0.427 123.6-105.8 -84.9 0.5 12.2 20.4 31.6 25 43 A G T < 5S+ 0 0 66 -3,-2.2 -3,-0.2 1,-0.3 -2,-0.1 0.468 70.7 141.5 94.4 1.3 9.5 20.9 34.3 26 44 A Y < - 0 0 87 -5,-1.9 2,-0.4 1,-0.1 -1,-0.3 -0.394 59.1-107.2 -73.2 155.0 10.4 24.2 35.9 27 45 A Q E -a 3 0A 119 -25,-3.4 -23,-2.6 -2,-0.1 2,-0.4 -0.723 40.6-155.9 -81.9 134.5 7.7 26.6 36.9 28 46 A I E +a 4 0A 6 -2,-0.4 20,-1.9 18,-0.2 2,-0.3 -0.962 19.6 170.6-122.7 130.7 7.6 29.5 34.4 29 47 A S E +ac 5 48A 5 -25,-2.4 -23,-2.1 -2,-0.4 2,-0.3 -0.863 12.2 163.3-125.3 160.6 6.3 33.1 34.8 30 48 A G E -ac 6 49A 0 18,-2.0 20,-1.9 -2,-0.3 2,-0.3 -0.989 23.1-144.3-167.9 173.0 6.7 36.1 32.5 31 49 A S E +ac 7 50A 0 -25,-1.9 -23,-2.2 -2,-0.3 -22,-1.4 -0.995 19.6 158.2-147.7 148.0 5.7 39.6 31.4 32 50 A D - 0 0 29 18,-2.1 -2,-0.0 -2,-0.3 -25,-0.0 -0.890 37.2-138.3-170.2 140.5 5.4 41.5 28.1 33 51 A L S S+ 0 0 120 -2,-0.3 -1,-0.1 1,-0.2 18,-0.1 0.831 98.1 49.9 -71.2 -30.1 3.5 44.5 26.8 34 52 A A S S- 0 0 65 18,-0.0 -1,-0.2 0, 0.0 5,-0.2 -0.747 77.6-151.9-118.1 86.6 2.7 42.8 23.5 35 53 A P + 0 0 68 0, 0.0 2,-0.2 0, 0.0 16,-0.0 -0.208 30.3 159.1 -51.9 138.8 1.2 39.2 23.7 36 54 A N > - 0 0 63 -25,-0.0 4,-2.1 0, 0.0 5,-0.2 -0.746 56.8 -66.4-146.8-168.9 2.0 37.1 20.6 37 55 A S H > S+ 0 0 101 1,-0.2 4,-2.2 -2,-0.2 5,-0.1 0.852 129.7 52.0 -57.4 -37.0 2.3 33.5 19.3 38 56 A V H > S+ 0 0 26 -28,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.917 109.6 47.0 -67.9 -43.3 5.2 32.8 21.6 39 57 A T H > S+ 0 0 0 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.836 112.5 51.0 -68.8 -31.9 3.4 34.1 24.7 40 58 A Q H X S+ 0 0 126 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.949 109.8 49.3 -67.9 -47.2 0.3 32.0 23.8 41 59 A H H X S+ 0 0 71 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.824 110.0 51.9 -58.6 -35.7 2.4 28.9 23.4 42 60 A L H <>S+ 0 0 2 -4,-1.7 5,-2.5 2,-0.2 -1,-0.2 0.879 108.6 49.9 -71.8 -37.6 4.0 29.5 26.7 43 61 A T H ><5S+ 0 0 64 -4,-1.7 3,-1.2 1,-0.2 -2,-0.2 0.847 106.4 57.2 -68.1 -32.4 0.6 29.8 28.4 44 62 A A H 3<5S+ 0 0 84 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.902 104.6 52.4 -64.1 -38.3 -0.3 26.5 26.7 45 63 A L T 3<5S- 0 0 68 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.419 131.0 -91.1 -78.5 -0.1 2.7 24.9 28.4 46 64 A G T < 5S+ 0 0 67 -3,-1.2 -18,-0.2 1,-0.3 -3,-0.2 0.463 79.0 140.1 106.0 1.7 1.6 26.1 31.9 47 65 A A < - 0 0 8 -5,-2.5 2,-0.7 -6,-0.1 -1,-0.3 -0.478 49.5-131.1 -78.7 151.0 3.5 29.4 32.1 48 66 A Q E -c 29 0A 111 -20,-1.9 -18,-2.0 -2,-0.1 2,-0.4 -0.913 27.8-170.9-102.6 113.0 1.8 32.5 33.7 49 67 A I E -c 30 0A 14 -2,-0.7 2,-0.4 -20,-0.2 -18,-0.2 -0.896 9.4-161.7-110.0 135.7 2.1 35.5 31.5 50 68 A Y E -c 31 0A 62 -20,-1.9 -18,-2.1 -2,-0.4 -2,-0.0 -0.902 13.7-147.5-110.9 139.9 1.2 39.1 32.4 51 69 A F S S+ 0 0 96 -2,-0.4 2,-0.3 -20,-0.2 -20,-0.1 -0.101 78.5 52.1-100.3 41.0 0.6 41.8 29.7 52 70 A H S S- 0 0 54 2,-0.1 2,-0.8 -18,-0.0 -20,-0.2 -0.969 83.7-112.4-162.2 159.7 1.9 44.6 31.8 53 71 A H + 0 0 42 -2,-0.3 -22,-0.0 -22,-0.1 -2,-0.0 -0.859 52.2 146.9-108.2 100.6 5.0 45.5 33.9 54 72 A R > - 0 0 124 -2,-0.8 3,-1.3 21,-0.1 4,-0.2 -0.940 55.8-118.3-129.2 152.7 3.9 45.7 37.6 55 73 A P G > S+ 0 0 63 0, 0.0 3,-1.3 0, 0.0 4,-0.1 0.772 107.8 67.0 -64.0 -26.2 5.9 44.8 40.8 56 74 A E G > S+ 0 0 97 1,-0.2 3,-1.5 2,-0.1 -3,-0.0 0.728 83.7 77.6 -66.4 -21.5 3.4 42.0 41.9 57 75 A N G < S+ 0 0 5 -3,-1.3 -1,-0.2 1,-0.2 -27,-0.1 0.697 87.1 56.5 -62.5 -21.0 4.5 40.0 38.8 58 76 A V G X S+ 0 0 5 -3,-1.3 3,-1.9 -4,-0.2 -1,-0.2 0.402 74.9 140.0 -94.3 3.8 7.8 38.8 40.4 59 77 A L T < S- 0 0 118 -3,-1.5 -3,-0.0 1,-0.3 21,-0.0 -0.201 75.9 -2.5 -55.4 131.8 6.2 37.2 43.5 60 78 A D T 3 S+ 0 0 147 1,-0.2 -1,-0.3 2,-0.1 -57,-0.2 0.480 90.0 156.2 65.7 8.7 7.8 33.9 44.7 61 79 A A < - 0 0 9 -3,-1.9 -1,-0.2 1,-0.1 -57,-0.2 -0.399 39.5-154.3 -68.0 137.0 10.3 33.9 41.8 62 80 A S S S- 0 0 47 -59,-3.2 2,-0.3 1,-0.3 -58,-0.2 0.716 82.1 -5.3 -79.5 -22.7 13.5 31.8 42.3 63 81 A V E -b 4 0A 19 -60,-1.1 -58,-2.2 22,-0.1 2,-0.5 -0.956 65.1-133.9-165.9 151.3 15.3 34.1 39.7 64 82 A V E -bd 5 87A 0 22,-2.7 24,-2.4 -2,-0.3 2,-0.5 -0.968 16.0-156.9-120.1 124.9 14.4 36.9 37.3 65 83 A V E -bd 6 88A 0 -60,-3.0 -58,-2.8 -2,-0.5 2,-0.4 -0.858 13.2-171.7-101.9 136.2 15.7 36.9 33.8 66 84 A V E -bd 7 89A 14 22,-2.5 24,-1.6 -2,-0.5 2,-0.2 -0.955 16.7-138.2-131.5 138.2 16.0 40.1 31.9 67 85 A S > - 0 0 24 -60,-0.9 3,-1.4 -2,-0.4 -54,-0.0 -0.568 31.0-113.7 -89.1 161.3 16.7 41.1 28.3 68 86 A T T 3 S+ 0 0 76 1,-0.3 -1,-0.1 -2,-0.2 21,-0.0 0.676 112.4 69.8 -67.7 -15.7 19.0 44.0 27.5 69 87 A A T 3 S+ 0 0 91 2,-0.1 2,-0.3 -61,-0.1 -1,-0.3 0.639 81.2 91.0 -76.5 -14.1 16.0 45.8 26.0 70 88 A I S < S- 0 0 35 -3,-1.4 2,-0.2 -63,-0.1 -4,-0.0 -0.624 77.9-127.8 -83.2 141.8 14.5 46.3 29.4 71 89 A S > - 0 0 72 -2,-0.3 3,-2.5 1,-0.1 6,-0.2 -0.619 18.3-117.2 -90.0 150.9 15.3 49.5 31.3 72 90 A A T 3 S+ 0 0 26 537,-0.4 -1,-0.1 1,-0.3 538,-0.1 0.637 112.8 67.6 -57.6 -13.4 16.7 49.5 34.9 73 91 A D T 3 + 0 0 76 536,-0.2 -1,-0.3 4,-0.1 537,-0.0 0.550 67.6 124.4 -84.4 -15.1 13.5 51.4 35.8 74 92 A N <> - 0 0 15 -3,-2.5 4,-2.5 1,-0.2 3,-0.3 -0.260 63.8-136.0 -52.6 127.2 11.2 48.4 35.1 75 93 A P H > S+ 0 0 52 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.784 102.6 60.9 -59.0 -26.4 9.2 47.8 38.3 76 94 A E H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.960 109.7 40.7 -66.5 -44.7 9.7 44.0 37.9 77 95 A I H > S+ 0 0 7 -3,-0.3 4,-2.2 2,-0.2 5,-0.2 0.937 116.2 49.7 -64.7 -51.2 13.5 44.5 38.2 78 96 A V H X S+ 0 0 35 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.961 112.7 47.9 -52.4 -53.3 13.2 47.1 41.0 79 97 A A H X S+ 0 0 12 -4,-3.1 4,-1.6 1,-0.2 -1,-0.2 0.845 108.6 56.6 -58.1 -34.8 10.8 44.8 42.9 80 98 A A H <>S+ 0 0 0 -4,-1.8 5,-2.6 2,-0.2 -1,-0.2 0.927 108.1 44.0 -64.2 -49.6 13.2 41.9 42.4 81 99 A R H ><5S+ 0 0 142 -4,-2.2 3,-2.9 1,-0.2 -2,-0.2 0.953 108.4 58.5 -62.7 -46.5 16.2 43.6 44.0 82 100 A E H 3<5S+ 0 0 45 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.887 111.7 42.8 -45.6 -45.1 14.0 44.9 46.9 83 101 A A T 3<5S- 0 0 62 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.399 114.3-120.3 -85.2 2.8 13.2 41.2 47.6 84 102 A R T < 5 + 0 0 211 -3,-2.9 -3,-0.2 1,-0.2 -2,-0.1 0.872 57.4 156.7 57.1 40.0 16.9 40.1 47.1 85 103 A I < - 0 0 26 -5,-2.6 -1,-0.2 -6,-0.1 -22,-0.1 -0.861 50.6-106.5 -94.7 121.7 15.9 37.8 44.2 86 104 A P - 0 0 81 0, 0.0 -22,-2.7 0, 0.0 2,-0.5 -0.187 34.0-158.8 -49.2 134.3 18.8 37.1 41.8 87 105 A V E +d 64 0A 36 -24,-0.2 2,-0.3 -22,-0.0 -22,-0.2 -0.977 16.6 172.2-120.3 119.7 18.5 39.0 38.5 88 106 A I E -d 65 0A 31 -24,-2.4 -22,-2.5 -2,-0.5 2,-0.2 -0.812 30.1-107.2-124.4 164.3 20.4 37.7 35.5 89 107 A R E >> -d 66 0A 124 -2,-0.3 4,-1.6 -24,-0.2 3,-1.5 -0.532 36.3-104.7 -88.0 156.5 20.5 38.4 31.8 90 108 A R H 3> S+ 0 0 43 -24,-1.6 4,-2.0 1,-0.3 3,-0.4 0.883 121.2 55.7 -41.1 -50.5 19.1 36.2 29.1 91 109 A A H 3> S+ 0 0 6 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.739 101.4 54.9 -59.8 -31.4 22.7 35.1 28.2 92 110 A E H <> S+ 0 0 62 -3,-1.5 4,-1.4 2,-0.2 -1,-0.2 0.869 109.5 48.2 -70.8 -35.5 23.5 33.9 31.8 93 111 A M H X S+ 0 0 16 -4,-1.6 4,-1.4 -3,-0.4 -2,-0.2 0.885 109.9 51.2 -71.9 -36.7 20.4 31.7 31.6 94 112 A L H X S+ 0 0 3 -4,-2.0 4,-1.6 1,-0.2 3,-0.3 0.915 107.5 55.4 -61.4 -40.6 21.5 30.3 28.2 95 113 A A H X S+ 0 0 16 -4,-1.8 4,-1.5 1,-0.2 -1,-0.2 0.835 104.5 53.0 -59.4 -37.7 24.9 29.7 29.9 96 114 A E H < S+ 0 0 90 -4,-1.4 4,-0.5 2,-0.2 -1,-0.2 0.806 105.4 52.6 -68.8 -32.5 23.2 27.6 32.5 97 115 A L H < S+ 0 0 7 -4,-1.4 3,-0.2 -3,-0.3 -1,-0.2 0.867 113.8 45.4 -68.9 -31.9 21.5 25.5 29.9 98 116 A M H >< S+ 0 0 1 -4,-1.6 3,-2.2 1,-0.2 5,-0.3 0.727 89.1 91.5 -81.1 -25.0 25.0 24.9 28.4 99 117 A R T 3< S+ 0 0 136 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.1 0.846 101.3 21.8 -36.7 -59.5 26.7 24.2 31.8 100 118 A Y T 3 S+ 0 0 202 -4,-0.5 -1,-0.3 -3,-0.2 2,-0.3 0.029 114.9 83.3-105.5 28.4 26.3 20.4 31.8 101 119 A R S < S- 0 0 47 -3,-2.2 2,-1.4 52,-0.0 51,-0.2 -0.797 89.6-101.0-124.7 168.2 25.8 20.0 28.0 102 120 A H E -e 152 0B 35 49,-2.9 51,-2.1 -2,-0.3 2,-0.3 -0.763 51.9-154.2 -89.0 93.8 28.0 19.7 25.0 103 121 A G E -e 153 0B 0 -2,-1.4 67,-2.8 65,-0.3 68,-2.1 -0.554 21.7-172.5 -79.1 132.2 27.6 23.2 23.9 104 122 A I E -ef 154 171B 0 49,-2.6 51,-3.1 -2,-0.3 2,-0.5 -0.966 14.9-168.6-122.8 105.6 28.0 24.3 20.2 105 123 A A E -ef 155 172B 0 66,-2.4 68,-2.3 -2,-0.5 2,-0.6 -0.891 6.8-155.6-105.3 124.2 27.9 28.1 20.1 106 124 A V E +ef 156 173B 0 49,-2.7 51,-3.1 -2,-0.5 2,-0.2 -0.873 20.7 170.2-106.7 115.7 27.5 29.9 16.8 107 125 A A E + f 0 174B 0 66,-2.7 68,-2.3 -2,-0.6 2,-0.2 -0.703 14.1 111.3-121.1 170.7 28.8 33.4 16.6 108 126 A G - 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0 0 21 -6,-0.3 -1,-0.3 -32,-0.0 -2,-0.3 -0.552 50.2-162.2 -93.1 157.2 4.6 85.6 18.5 882 436 B D - 0 0 116 -2,-0.2 -32,-0.1 -3,-0.1 -9,-0.1 -0.799 26.7-153.1-131.9 83.1 1.0 85.3 19.5 883 437 B P - 0 0 7 0, 0.0 2,-0.5 0, 0.0 -32,-0.2 -0.279 5.5-134.5 -64.7 151.3 1.1 83.1 22.5 884 438 B I E -m 851 0G 53 -34,-2.3 -32,-2.1 2,-0.0 2,-0.2 -0.919 13.2-140.6-107.7 117.3 -1.9 80.9 23.4 885 439 B L E -m 852 0G 46 -2,-0.5 -32,-0.2 -34,-0.2 -34,-0.0 -0.556 10.5-147.2 -75.4 141.1 -3.0 80.9 27.0 886 440 B V E -m 853 0G 1 -34,-2.5 -32,-0.6 -2,-0.2 6,-0.1 -0.952 3.5-148.6-115.0 112.3 -4.1 77.4 28.2 887 441 B P - 0 0 87 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.735 69.5 -24.3 -47.4 -39.5 -7.0 77.7 30.9 888 442 B D S >> S- 0 0 72 1,-0.1 4,-1.1 -35,-0.0 3,-0.8 -0.982 70.8 -83.0-167.2 173.9 -5.9 74.5 32.8 889 443 B S T 34 S+ 0 0 41 -2,-0.3 3,-0.4 1,-0.2 -1,-0.1 0.836 119.4 53.6 -54.8 -44.7 -4.1 71.1 32.7 890 444 B E T 34 S+ 0 0 174 1,-0.2 4,-0.4 2,-0.1 -1,-0.2 0.776 107.2 53.2 -65.1 -27.7 -7.0 69.1 31.2 891 445 B S T <> S+ 0 0 35 -3,-0.8 4,-2.2 1,-0.2 3,-0.4 0.775 87.6 84.0 -76.7 -28.5 -7.3 71.5 28.3 892 446 B A H X S+ 0 0 1 -4,-1.1 4,-2.2 -3,-0.4 5,-0.3 0.867 86.3 51.0 -44.4 -54.9 -3.6 71.3 27.3 893 447 B P H > S+ 0 0 30 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.917 113.4 45.7 -53.4 -46.2 -3.8 68.2 25.1 894 448 B E H > S+ 0 0 98 -4,-0.4 4,-2.0 -3,-0.4 -2,-0.2 0.964 113.7 46.6 -60.9 -55.2 -6.7 69.5 23.1 895 449 B M H X S+ 0 0 41 -4,-2.2 4,-0.6 1,-0.2 -1,-0.2 0.775 114.7 48.5 -62.0 -29.0 -5.3 73.0 22.5 896 450 B L H >X S+ 0 0 2 -4,-2.2 4,-1.7 -5,-0.3 3,-1.1 0.928 107.1 55.5 -75.4 -46.1 -1.9 71.5 21.5 897 451 B A H 3< S+ 0 0 4 -4,-2.6 -2,-0.2 -5,-0.3 -1,-0.2 0.874 101.2 60.4 -53.9 -40.6 -3.5 69.0 19.1 898 452 B Q H 3< S+ 0 0 120 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.806 112.4 34.4 -59.5 -34.4 -5.3 71.8 17.2 899 453 B I H << S+ 0 0 36 -3,-1.1 -1,-0.2 -4,-0.6 -2,-0.2 0.673 85.6 121.8 -99.7 -15.1 -2.1 73.6 16.2 900 454 B L < - 0 0 1 -4,-1.7 2,-0.3 -3,-0.1 -112,-0.0 -0.177 39.2-170.2 -54.7 132.5 0.3 70.7 15.7 901 455 B N > - 0 0 58 -81,-0.1 3,-0.6 -110,-0.1 -81,-0.1 -0.850 35.0 -87.6-118.8 156.3 1.9 70.4 12.2 902 456 B G T 3 S+ 0 0 28 -2,-0.3 -110,-0.2 -113,-0.3 -112,-0.1 -0.365 114.4 31.2 -62.5 142.3 4.0 67.6 10.8 903 457 B E T 3 S+ 0 0 105 -112,-2.9 -83,-1.6 1,-0.3 2,-0.3 0.808 87.2 148.1 76.0 31.7 7.7 68.0 11.6 904 458 B D E < -jk 792 820G 2 -113,-0.8 -111,-2.4 -3,-0.6 2,-0.5 -0.709 39.4-152.6 -94.0 151.3 7.0 69.7 14.9 905 459 B L E -jk 793 821G 0 -85,-2.5 -83,-2.1 -2,-0.3 2,-0.5 -0.982 17.5-156.3-121.4 109.9 9.4 69.4 17.9 906 460 B I E -jk 794 822G 0 -113,-2.8 -111,-2.6 -2,-0.5 2,-0.5 -0.808 7.4-163.7 -94.1 126.9 7.3 69.9 21.0 907 461 B L E -jk 795 823G 1 -85,-2.3 -83,-2.5 -2,-0.5 2,-0.7 -0.955 3.3-162.1-106.8 119.3 9.0 71.0 24.2 908 462 B V E -jk 796 824G 0 -113,-2.6 -111,-2.4 -2,-0.5 2,-0.4 -0.930 28.2-166.7-100.7 111.0 6.9 70.5 27.4 909 463 B Q E +jk 797 825G 0 -85,-3.1 -83,-1.7 -2,-0.7 -111,-0.2 -0.892 23.9 22.6-122.1 133.3 8.7 72.8 29.8 910 464 B G - 0 0 0 -113,-2.2 -110,-0.2 -2,-0.4 -111,-0.1 -0.647 66.2 -82.8 123.9-178.5 8.8 73.5 33.5 911 465 B A S > S+ 0 0 7 -85,-0.4 3,-1.3 -2,-0.2 2,-0.4 -0.145 85.6 52.0-103.2-155.9 8.1 72.0 37.0 912 466 B G T 3 S- 0 0 33 1,-0.3 3,-0.4 2,-0.1 4,-0.3 -0.466 124.6 -7.5 70.8-122.7 4.8 71.8 38.8 913 467 B N T >> S+ 0 0 56 -2,-0.4 4,-1.5 1,-0.2 3,-0.9 0.736 115.0 87.1 -81.8 -24.2 2.0 70.3 36.8 914 468 B I H <> S+ 0 0 0 -3,-1.3 4,-2.3 1,-0.2 -1,-0.2 0.810 79.6 63.7 -45.1 -39.6 4.0 70.1 33.6 915 469 B G H 3> S+ 0 0 6 -3,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.920 104.6 43.6 -53.1 -52.2 5.4 66.7 34.5 916 470 B K H <> S+ 0 0 134 -3,-0.9 4,-3.1 -4,-0.3 5,-0.3 0.920 110.7 54.5 -59.2 -51.4 2.0 64.9 34.4 917 471 B I H X S+ 0 0 12 -4,-1.5 4,-2.0 1,-0.2 -1,-0.2 0.903 109.3 50.2 -49.1 -45.9 0.9 66.6 31.2 918 472 B A H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.930 111.8 45.0 -62.0 -49.6 4.1 65.4 29.6 919 473 B R H X S+ 0 0 138 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.944 114.6 49.8 -60.2 -48.2 3.7 61.7 30.8 920 474 B K H X S+ 0 0 113 -4,-3.1 4,-1.7 1,-0.2 -1,-0.2 0.806 108.8 52.1 -60.5 -33.8 -0.0 61.8 29.7 921 475 B L H <>S+ 0 0 3 -4,-2.0 5,-2.9 -5,-0.3 -1,-0.2 0.873 111.4 48.3 -69.5 -35.3 0.9 63.2 26.3 922 476 B A H ><5S+ 0 0 25 -4,-1.9 3,-1.0 3,-0.2 -2,-0.2 0.919 110.6 49.3 -70.4 -45.2 3.3 60.4 25.9 923 477 B E H 3<5S+ 0 0 108 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.1 0.969 117.6 39.6 -56.0 -56.8 0.9 57.6 26.9 924 478 B H T ><5S- 0 0 46 -4,-1.7 3,-1.7 -5,-0.2 -1,-0.3 0.326 110.2-122.3 -79.6 7.1 -1.8 58.7 24.7 925 479 B K T < 5S- 0 0 111 -3,-1.0 -3,-0.2 1,-0.3 -4,-0.1 0.898 70.5 -55.3 51.4 49.3 0.6 59.5 21.8 926 480 B L T 3