==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 27-APR-07 2YYA . COMPND 2 MOLECULE: PHOSPHORIBOSYLAMINE--GLYCINE LIGASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS; . AUTHOR S.BABA,M.KANAGAWA,S.KURAMITSU,S.YOKOYAMA,G.KAWAI,G.SAMPEI,RI . 846 2 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35729.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 621 73.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 41 4.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 162 19.1 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 . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.7 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 . 83 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 97 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 194 22.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 2.8 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 4 1 2 2 1 2 7 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 2 2 1 1 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 . 9 6 2 7 2 1 2 2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 2 2 3 3 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 M 0 0 56 0, 0.0 25,-3.7 0, 0.0 26,-1.9 0.000 360.0 360.0 360.0-176.9 -11.2 1.9 -2.0 2 2 A K E -a 27 0A 59 60,-0.3 63,-1.0 24,-0.2 62,-0.7 -0.966 360.0-173.0-114.3 110.3 -10.0 4.9 -0.1 3 3 A V E -ab 28 65A 0 24,-2.7 26,-1.9 -2,-0.6 2,-0.4 -0.882 7.2-162.6-111.9 147.9 -8.8 4.0 3.5 4 4 A L E -ab 29 66A 0 61,-1.5 63,-1.9 -2,-0.3 2,-0.4 -0.984 3.4-158.5-126.1 136.6 -7.8 6.5 6.1 5 5 A V E -ab 30 67A 0 24,-1.7 26,-2.0 -2,-0.4 2,-0.5 -0.956 13.9-145.4-113.0 135.3 -5.7 5.7 9.4 6 6 A V E +ab 31 68A 0 61,-2.0 63,-3.1 -2,-0.4 2,-0.2 -0.919 58.0 58.1-102.0 128.4 -6.0 8.1 12.2 7 7 A G E -a 32 0A 0 24,-1.3 26,-0.6 -2,-0.5 24,-0.2 -0.499 61.7-130.8 134.9 167.4 -2.9 8.6 14.3 8 8 A N + 0 0 66 -2,-0.2 29,-0.1 24,-0.2 2,-0.1 0.117 69.3 89.6-129.1 9.6 0.8 9.7 13.9 9 9 A G S > S- 0 0 18 355,-0.1 4,-1.1 25,-0.1 3,-0.2 -0.247 91.7 -84.9-120.1-172.8 2.8 7.2 15.7 10 10 A G H > S+ 0 0 1 1,-0.2 4,-2.6 2,-0.2 3,-0.4 0.899 122.3 58.9 -68.9 -39.4 4.6 3.8 15.1 11 11 A R H > S+ 0 0 16 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.861 106.5 47.7 -45.2 -44.2 1.2 1.9 15.7 12 12 A E H > S+ 0 0 2 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.760 105.8 55.5 -79.8 -28.2 -0.3 3.7 12.9 13 13 A H H X S+ 0 0 14 -4,-1.1 4,-3.9 -3,-0.4 5,-0.2 0.903 109.2 50.0 -58.1 -49.3 2.6 3.0 10.6 14 14 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 5,-0.3 0.933 110.4 50.2 -50.2 -53.8 2.0 -0.7 11.3 15 15 A I H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.923 116.9 39.5 -56.7 -46.8 -1.7 -0.2 10.5 16 16 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.858 113.6 54.9 -76.5 -37.9 -1.0 1.5 7.2 17 17 A W H < S+ 0 0 62 -4,-3.9 4,-0.4 2,-0.2 -2,-0.2 0.941 114.1 39.7 -52.1 -49.6 1.9 -0.8 6.4 18 18 A K H >< S+ 0 0 8 -4,-2.5 3,-1.3 -5,-0.2 4,-0.4 0.950 117.7 49.1 -69.2 -48.5 -0.2 -3.9 6.8 19 19 A V H >< S+ 0 0 0 -4,-2.6 3,-1.4 -5,-0.3 6,-0.3 0.845 100.1 63.5 -56.0 -37.0 -3.3 -2.3 5.2 20 20 A A T 3< S+ 0 0 48 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.657 95.1 68.6 -68.5 -9.4 -1.2 -1.0 2.1 21 21 A Q T < S+ 0 0 93 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.756 76.7 92.6 -78.3 -32.5 -0.7 -4.7 1.5 22 22 A S S X S- 0 0 5 -3,-1.4 3,-1.0 -4,-0.4 280,-0.0 -0.506 71.7-141.6 -58.0 127.2 -4.4 -5.4 0.6 23 23 A P T 3 S+ 0 0 117 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.552 96.0 72.5 -68.7 -6.4 -5.2 -5.3 -3.2 24 24 A L T 3 S+ 0 0 59 2,-0.0 2,-0.3 -22,-0.0 -4,-0.1 0.726 79.2 81.2 -75.3 -35.2 -8.5 -3.7 -2.2 25 25 A V < + 0 0 22 -3,-1.0 -23,-0.2 -6,-0.3 3,-0.1 -0.647 44.6 170.9 -83.3 136.8 -7.1 -0.3 -1.2 26 26 A K S S+ 0 0 152 -25,-3.7 2,-0.3 1,-0.4 -24,-0.2 0.578 72.2 26.1-122.9 -17.3 -6.4 2.2 -4.1 27 27 A E E -a 2 0A 60 -26,-1.9 -24,-2.7 2,-0.0 2,-0.4 -0.961 63.8-163.6-153.7 140.1 -5.6 5.3 -1.9 28 28 A L E -a 3 0A 12 -2,-0.3 14,-3.5 -26,-0.2 2,-0.3 -0.948 7.1-177.0-132.3 123.7 -4.4 5.6 1.6 29 29 A Y E -ac 4 42A 11 -26,-1.9 -24,-1.7 -2,-0.4 2,-0.3 -0.917 6.5-162.8-118.0 147.2 -4.6 8.7 3.6 30 30 A V E -ac 5 43A 0 12,-3.8 14,-2.5 -2,-0.3 2,-1.5 -0.998 24.9-121.5-134.1 145.6 -3.2 9.2 7.2 31 31 A A E S-ac 6 44A 0 -26,-2.0 -24,-1.3 -2,-0.3 2,-0.5 -0.777 91.0 -32.7-114.9 75.9 -4.2 12.0 9.6 32 32 A K E S+a 7 0A 56 -2,-1.5 2,-0.2 12,-0.7 -24,-0.2 -0.930 86.9 178.7 151.0 -57.3 -1.1 13.5 10.1 33 33 A G - 0 0 6 -26,-0.6 2,-0.2 -2,-0.5 -20,-0.0 -0.560 30.1-100.7 88.4-162.5 1.2 10.5 9.9 34 34 A N > - 0 0 5 -2,-0.2 4,-1.9 330,-0.1 332,-0.2 -0.821 45.6 -81.0-157.4 166.2 5.0 10.9 10.3 35 35 A A T 4 S+ 0 0 7 330,-1.1 4,-0.3 -2,-0.2 331,-0.1 0.682 130.2 54.9 -49.5 -24.7 7.8 11.0 7.6 36 36 A G T >4 S+ 0 0 0 327,-0.2 3,-1.2 329,-0.2 4,-0.3 0.922 107.5 45.3 -78.0 -54.0 7.6 7.2 7.5 37 37 A I G >> S+ 0 0 0 1,-0.2 3,-2.9 -3,-0.2 4,-0.8 0.871 101.0 70.3 -58.2 -36.0 3.9 6.9 6.9 38 38 A W G 3< S+ 0 0 73 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.670 85.5 67.0 -60.8 -16.7 4.1 9.7 4.1 39 39 A E G <4 S+ 0 0 128 -3,-1.2 -1,-0.3 -4,-0.3 -2,-0.2 0.723 117.5 25.3 -69.7 -22.7 5.9 7.3 1.8 40 40 A I T <4 S+ 0 0 66 -3,-2.9 2,-0.3 -4,-0.3 -2,-0.2 0.514 121.5 34.9-116.2 -0.3 2.7 5.3 1.7 41 41 A A S < S- 0 0 8 -4,-0.8 -12,-0.3 -14,-0.1 2,-0.3 -0.979 82.2 -99.2-161.3 137.7 -0.4 7.4 2.5 42 42 A K E -c 29 0A 105 -14,-3.5 -12,-3.8 -2,-0.3 2,-0.6 -0.574 40.7-123.7 -70.0 127.1 -1.4 10.9 1.7 43 43 A R E -c 30 0A 122 -2,-0.3 2,-0.4 -14,-0.2 -12,-0.2 -0.765 21.5-162.9 -70.1 133.3 -0.9 13.1 4.6 44 44 A V E -c 31 0A 11 -14,-2.5 2,-1.3 -2,-0.6 -12,-0.7 -0.925 15.1-143.4-113.2 122.6 -4.1 14.9 5.8 45 45 A D + 0 0 99 -2,-0.4 2,-0.3 -14,-0.2 -14,-0.1 -0.559 60.4 112.0 -99.2 67.2 -3.1 17.7 8.0 46 46 A I S S- 0 0 16 -2,-1.3 -2,-0.1 8,-0.0 4,-0.0 -0.975 73.5-106.7-134.9 135.9 -6.0 17.6 10.5 47 47 A S > - 0 0 40 -2,-0.3 3,-1.4 1,-0.1 7,-0.2 -0.255 22.0-123.6 -64.0 147.3 -5.2 16.6 14.1 48 48 A P T 3 S+ 0 0 12 0, 0.0 -1,-0.1 0, 0.0 -16,-0.0 0.815 113.1 50.4 -54.2 -26.5 -6.4 13.1 15.1 49 49 A T T 3 S+ 0 0 59 1,-0.2 2,-0.7 2,-0.0 3,-0.2 0.149 81.8 93.2-105.5 20.7 -8.4 14.7 18.0 50 50 A D X> + 0 0 61 -3,-1.4 4,-2.4 1,-0.2 3,-0.7 -0.522 58.6 173.0-106.6 63.0 -10.1 17.2 15.8 51 51 A V H 3> + 0 0 20 -2,-0.7 4,-1.4 1,-0.3 -1,-0.2 0.662 64.2 45.6 -63.3 -28.8 -12.9 14.8 15.4 52 52 A E H 3> S+ 0 0 114 2,-0.2 4,-2.0 -3,-0.2 -1,-0.3 0.842 113.7 48.4 -80.5 -36.2 -15.5 16.9 13.5 53 53 A K H <> S+ 0 0 123 -3,-0.7 4,-2.7 2,-0.2 5,-0.3 0.945 110.7 53.5 -70.7 -45.6 -13.1 18.3 10.9 54 54 A L H X S+ 0 0 0 -4,-2.4 4,-3.1 -7,-0.2 -2,-0.2 0.912 109.9 47.9 -37.9 -52.0 -11.8 14.7 10.4 55 55 A A H X S+ 0 0 0 -4,-1.4 4,-3.5 2,-0.2 -2,-0.2 0.941 112.4 46.9 -71.4 -38.2 -15.4 13.5 9.8 56 56 A E H X S+ 0 0 64 -4,-2.0 4,-3.8 2,-0.2 5,-0.3 0.927 113.4 49.0 -69.8 -46.8 -16.2 16.2 7.3 57 57 A F H X S+ 0 0 50 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.945 113.0 46.2 -48.3 -57.7 -12.9 15.7 5.4 58 58 A A H X>S+ 0 0 0 -4,-3.1 5,-2.0 -5,-0.3 4,-0.9 0.951 115.2 49.9 -57.6 -45.3 -13.5 11.9 5.3 59 59 A K H ><5S+ 0 0 93 -4,-3.5 3,-0.8 -5,-0.2 -2,-0.2 0.953 114.8 40.5 -50.8 -60.5 -17.1 12.7 4.1 60 60 A N H 3<5S+ 0 0 132 -4,-3.8 -2,-0.2 1,-0.2 -3,-0.2 0.930 117.1 51.0 -53.5 -51.2 -16.2 15.2 1.3 61 61 A E H 3<5S- 0 0 60 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.604 110.0-120.3 -58.1 -24.0 -13.2 13.1 0.2 62 62 A G T <<5 - 0 0 32 -4,-0.9 2,-0.7 -3,-0.8 -60,-0.3 0.760 36.2-174.5 80.2 26.8 -15.2 9.8 -0.1 63 63 A V < - 0 0 5 -5,-2.0 25,-0.2 -6,-0.2 -1,-0.2 -0.456 9.0-165.5 -63.1 102.5 -13.2 7.7 2.5 64 64 A D S S+ 0 0 78 -2,-0.7 2,-0.3 -62,-0.7 -61,-0.2 0.477 70.7 5.6 -65.2 -17.5 -14.8 4.2 2.1 65 65 A F E -b 3 0A 0 -63,-1.0 -61,-1.5 -7,-0.1 2,-0.3 -0.893 61.5-169.4-168.7 152.6 -13.2 3.0 5.4 66 66 A T E -bd 4 89A 2 22,-0.7 24,-2.6 -2,-0.3 2,-0.4 -0.993 5.9-159.9-149.3 140.3 -11.1 4.4 8.4 67 67 A I E -bd 5 90A 0 -63,-1.9 -61,-2.0 -2,-0.3 2,-0.5 -0.964 18.0-135.5-124.2 140.8 -9.3 2.7 11.3 68 68 A V E -b 6 0A 3 22,-1.5 -61,-0.1 -2,-0.4 -63,-0.1 -0.802 18.3-176.6 -97.2 127.6 -8.4 4.6 14.5 69 69 A G + 0 0 1 -63,-3.1 219,-0.2 -2,-0.5 -62,-0.2 0.917 58.3 51.0 -75.9 -64.3 -5.0 4.3 16.1 70 70 A P S > S- 0 0 22 0, 0.0 4,-0.7 0, 0.0 219,-0.1 -0.495 73.1-123.5 -89.9 164.6 -4.8 6.3 19.4 71 71 A E H >> S+ 0 0 32 2,-0.2 4,-1.7 1,-0.2 3,-1.0 0.906 98.6 64.1 -66.6 -34.8 -7.2 6.4 22.5 72 72 A A H 3> S+ 0 0 24 1,-0.3 4,-2.8 2,-0.2 6,-0.2 0.936 99.9 47.7 -71.6 -48.7 -8.0 10.1 22.5 73 73 A P H 34>S+ 0 0 2 0, 0.0 5,-2.5 0, 0.0 -1,-0.3 0.859 113.0 51.9 -45.5 -35.8 -9.8 10.4 19.3 74 74 A L H X<>S+ 0 0 1 -3,-1.0 3,-1.0 -4,-0.7 5,-0.6 0.946 113.3 43.2 -65.7 -56.1 -11.9 7.3 20.2 75 75 A V H 3<5S+ 0 0 27 -4,-1.7 -1,-0.2 1,-0.3 -3,-0.2 0.826 106.5 59.5 -56.0 -55.5 -12.9 8.7 23.6 76 76 A E T 3<5S- 0 0 98 -4,-2.8 -1,-0.3 -5,-0.3 -2,-0.2 0.375 124.0 -99.4 -64.4 10.8 -13.6 12.2 22.3 77 77 A G T <>5 + 0 0 3 -3,-1.0 4,-1.8 -5,-0.2 5,-0.2 0.758 69.7 149.3 86.2 22.3 -16.3 10.6 20.0 78 78 A I H > S+ 0 0 52 1,-0.3 4,-1.2 2,-0.2 -1,-0.2 0.841 111.0 47.7 -53.4 -47.4 -20.0 9.1 16.6 81 81 A E H X S+ 0 0 32 -4,-1.8 4,-0.8 2,-0.2 -1,-0.3 0.693 108.7 53.0 -64.8 -36.2 -19.0 11.9 14.2 82 82 A F H ><>S+ 0 0 0 -4,-1.2 5,-1.6 -3,-0.2 3,-1.0 0.945 109.2 48.8 -72.2 -43.0 -18.1 9.5 11.5 83 83 A E H ><5S+ 0 0 16 -4,-2.5 3,-2.9 1,-0.2 427,-0.4 0.847 100.3 66.2 -63.0 -27.9 -21.4 7.8 11.6 84 84 A K H 3<5S+ 0 0 76 -4,-1.2 -1,-0.2 1,-0.3 -2,-0.2 0.843 106.2 44.7 -54.1 -32.6 -23.2 11.2 11.5 85 85 A R T <<5S- 0 0 77 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.059 127.7-100.3-110.1 16.4 -21.9 11.6 8.1 86 86 A G T < 5 + 0 0 42 -3,-2.9 2,-0.4 421,-0.5 -3,-0.2 0.759 69.3 160.3 68.5 35.0 -22.7 8.0 7.1 87 87 A L < - 0 0 21 -5,-1.6 2,-0.6 -8,-0.1 -1,-0.2 -0.750 44.2-134.9-106.9 131.1 -19.2 6.7 7.5 88 88 A K + 0 0 89 -2,-0.4 -22,-0.7 -25,-0.2 2,-0.4 -0.625 39.5 166.9 -74.0 114.4 -17.7 3.2 8.0 89 89 A I E -d 66 0A 0 -2,-0.6 2,-0.5 -24,-0.2 -22,-0.2 -0.972 30.7-142.9-135.9 125.9 -15.2 3.5 10.8 90 90 A F E +d 67 0A 0 -24,-2.6 -22,-1.5 -2,-0.4 176,-0.1 -0.754 64.5 72.3 -86.3 129.0 -13.4 0.8 12.9 91 91 A G S S- 0 0 5 174,-0.9 175,-0.1 -2,-0.5 174,-0.1 -0.530 86.3 -73.1 148.0 150.6 -13.0 1.8 16.6 92 92 A P - 0 0 0 0, 0.0 -13,-0.4 0, 0.0 -12,-0.1 -0.332 45.3-114.1 -56.1 146.1 -15.4 2.1 19.5 93 93 A N > - 0 0 38 170,-0.4 4,-2.6 -14,-0.2 -15,-0.1 -0.214 40.8 -93.8 -64.9 171.7 -18.0 4.9 19.9 94 94 A K T 4 S+ 0 0 104 2,-0.2 7,-0.1 1,-0.2 4,-0.1 0.761 126.1 51.5 -68.9 -38.5 -17.6 7.4 22.8 95 95 A E T >4 S+ 0 0 89 2,-0.2 3,-1.5 1,-0.2 -1,-0.2 0.949 113.2 43.8 -64.9 -56.7 -19.9 5.4 25.1 96 96 A A T >4 S+ 0 0 3 167,-0.3 3,-1.6 1,-0.2 -2,-0.2 0.884 102.0 73.2 -58.8 -31.8 -18.0 2.1 24.5 97 97 A A T >X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.3 3,-1.5 0.544 72.8 85.9 -53.3 -6.1 -14.7 4.2 24.9 98 98 A K H <> + 0 0 77 -3,-1.5 4,-1.4 1,-0.3 8,-0.3 0.686 65.7 78.8 -85.1 -14.5 -15.2 4.4 28.6 99 99 A L H <4 S+ 0 0 4 -3,-1.6 185,-0.5 2,-0.1 -1,-0.3 0.838 118.4 14.4 -61.3 -26.3 -13.5 1.1 29.3 100 100 A E H <4 S+ 0 0 9 -3,-1.5 -2,-0.2 -4,-0.1 -1,-0.1 0.826 121.7 64.3-101.1 -45.8 -10.2 3.0 28.8 101 101 A G H < S+ 0 0 17 -4,-2.7 46,-0.3 1,-0.2 2,-0.3 0.478 115.2 28.4 -65.6 -15.5 -11.3 6.6 29.0 102 102 A S X - 0 0 25 -4,-1.4 4,-0.8 -5,-0.2 44,-0.2 -0.919 68.9-166.7-138.8 119.0 -12.4 6.3 32.6 103 103 A K H > S+ 0 0 39 42,-1.7 4,-2.4 -2,-0.3 3,-0.3 0.876 87.8 55.3 -73.2 -35.6 -10.6 3.7 34.7 104 104 A A H > S+ 0 0 7 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.854 103.2 58.4 -74.2 -20.6 -13.0 3.6 37.6 105 105 A F H > S+ 0 0 63 2,-0.2 4,-1.8 -7,-0.2 -1,-0.2 0.899 111.9 41.9 -56.2 -47.8 -16.0 2.7 35.1 106 106 A A H X S+ 0 0 3 -4,-0.8 4,-2.7 -8,-0.3 -2,-0.2 0.806 107.9 55.9 -80.9 -42.1 -14.1 -0.3 34.0 107 107 A K H X S+ 0 0 5 -4,-2.4 4,-1.3 2,-0.2 -1,-0.2 0.774 111.2 47.0 -55.6 -24.2 -13.0 -1.4 37.3 108 108 A T H X S+ 0 0 68 -4,-1.0 4,-2.9 2,-0.2 -2,-0.2 0.888 113.5 49.6-100.7 -40.1 -16.9 -1.3 38.2 109 109 A F H < S+ 0 0 8 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.893 110.1 50.4 -45.6 -65.6 -17.7 -3.3 35.0 110 110 A M H >X>S+ 0 0 4 -4,-2.7 5,-1.7 2,-0.2 3,-0.6 0.810 119.5 35.1 -53.6 -45.1 -15.0 -5.7 35.9 111 111 A K H ><5S+ 0 0 147 -4,-1.3 3,-1.6 1,-0.2 -2,-0.2 0.952 111.3 58.0 -83.6 -45.2 -16.3 -6.3 39.4 112 112 A K T 3<5S+ 0 0 123 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.534 121.2 34.5 -43.0 -0.6 -20.0 -5.9 38.6 113 113 A Y T <45S- 0 0 28 -3,-0.6 -1,-0.3 2,-0.1 -2,-0.2 0.349 112.2-105.5-152.2 2.0 -19.3 -8.8 36.2 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160 A E H > S+ 0 0 73 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.863 105.2 49.7 -60.9 -40.5 4.7 8.5 51.0 161 161 A K H > S+ 0 0 36 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.888 110.6 52.1 -65.8 -35.3 5.2 8.1 47.3 162 162 A A H X S+ 0 0 5 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.932 111.5 43.7 -65.9 -48.2 1.5 7.1 47.0 163 163 A I H X S+ 0 0 56 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.880 112.2 54.4 -66.4 -34.8 0.2 10.2 48.9 164 164 A E H X S+ 0 0 63 -4,-2.2 4,-1.6 -5,-0.3 -1,-0.2 0.896 110.8 46.4 -63.0 -39.1 2.7 12.3 46.9 165 165 A T H X S+ 0 0 17 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.924 110.8 50.9 -67.5 -47.1 1.2 10.9 43.7 166 166 A L H X>S+ 0 0 24 -4,-2.7 4,-3.2 1,-0.2 5,-0.7 0.863 106.6 57.3 -59.0 -35.3 -2.4 11.4 44.9 167 167 A D H X>S+ 0 0 50 -4,-2.2 5,-2.4 2,-0.2 4,-1.2 0.928 108.2 44.3 -61.7 -47.7 -1.5 15.0 45.7 168 168 A R H <5S+ 0 0 48 -4,-1.6 6,-2.1 3,-0.2 5,-0.3 0.889 121.1 41.2 -65.1 -38.6 -0.3 15.8 42.2 169 169 A F H <5S+ 0 0 10 -4,-2.1 6,-0.3 4,-0.2 -2,-0.2 0.959 128.7 23.2 -75.6 -55.5 -3.4 14.1 40.7 170 170 A L H <5S+ 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