==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE/RNA 27-APR-12 4AS1 . COMPND 2 MOLECULE: LEUCINE--TRNA LIGASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR A.PALENCIA,T.CREPIN,M.T.VU,T.L.LINCECUM JR,S.A.MARTINIS,S.CU . 811 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39110.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 537 66.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 3.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 96 11.8 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 . 6 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 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 . 50 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 90 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 239 29.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.7 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 3 0 1 2 2 0 5 2 0 0 2 1 1 0 1 2 0 0 1 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 4 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 0 0 PARALLEL BRIDGES PER LADDER . 3 3 3 4 1 3 0 2 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 . 2 4 4 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 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 66 0, 0.0 2,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 125.9 13.9 31.9 7.2 2 2 A Q - 0 0 115 1,-0.1 4,-0.0 2,-0.1 643,-0.0 -0.411 360.0-137.2 -60.0 141.9 14.5 30.0 3.9 3 3 A E S S+ 0 0 120 -2,-0.1 2,-0.5 1,-0.1 -1,-0.1 0.886 84.6 64.6 -70.9 -37.6 11.8 27.5 3.1 4 4 A Q S S- 0 0 113 641,-0.0 2,-0.5 2,-0.0 -2,-0.1 -0.737 80.9-130.6 -96.7 133.4 14.3 24.9 2.0 5 5 A Y + 0 0 11 -2,-0.5 633,-0.1 633,-0.1 -2,-0.0 -0.644 31.0 175.6 -73.2 122.4 16.9 23.3 4.2 6 6 A R > - 0 0 74 -2,-0.5 3,-2.0 1,-0.1 4,-0.5 -0.856 18.7-170.3-137.9 97.8 20.2 23.4 2.4 7 7 A P G >> S+ 0 0 16 0, 0.0 4,-2.4 0, 0.0 3,-1.5 0.839 86.7 66.2 -61.5 -31.9 23.2 22.1 4.3 8 8 A E G 34 S+ 0 0 134 1,-0.3 4,-0.2 2,-0.2 597,-0.0 0.732 107.2 44.0 -57.9 -23.1 25.6 23.5 1.7 9 9 A E G <4 S+ 0 0 89 -3,-2.0 -1,-0.3 2,-0.1 -4,-0.0 0.461 123.0 34.5 -97.3 -5.1 24.4 27.0 2.8 10 10 A I T <> S+ 0 0 16 -3,-1.5 4,-2.1 -4,-0.5 3,-0.2 0.785 103.0 61.1-114.1 -46.8 24.5 26.3 6.6 11 11 A E H X S+ 0 0 15 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.877 103.4 44.3 -67.9 -44.6 27.4 24.0 7.6 12 12 A S H > S+ 0 0 78 -5,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.818 112.7 53.1 -75.0 -24.7 30.5 25.8 6.6 13 13 A K H > S+ 0 0 138 -3,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.923 111.1 46.6 -69.8 -43.2 29.3 29.1 8.0 14 14 A V H X S+ 0 0 8 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.940 111.7 51.7 -63.8 -44.2 28.5 27.5 11.3 15 15 A Q H X S+ 0 0 20 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.916 107.9 50.8 -55.7 -48.4 32.0 25.8 11.3 16 16 A L H X S+ 0 0 93 -4,-2.0 4,-3.1 1,-0.2 -1,-0.2 0.878 108.1 54.8 -56.7 -41.3 33.7 29.1 10.6 17 17 A H H X S+ 0 0 35 -4,-1.8 4,-2.8 2,-0.2 6,-0.3 0.909 104.5 52.0 -58.3 -44.2 31.8 30.6 13.5 18 18 A W H <>S+ 0 0 15 -4,-2.2 5,-1.6 1,-0.2 6,-0.4 0.868 114.1 44.9 -63.7 -34.1 33.1 27.9 15.9 19 19 A D H ><5S+ 0 0 55 -4,-1.7 3,-0.8 3,-0.2 -2,-0.2 0.928 113.7 48.4 -70.3 -47.9 36.6 28.7 14.8 20 20 A E H 3<5S+ 0 0 132 -4,-3.1 -2,-0.2 1,-0.2 -3,-0.2 0.890 119.7 38.0 -63.8 -37.2 36.1 32.6 15.0 21 21 A K T 3<5S- 0 0 138 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.446 100.1-132.5 -94.3 1.2 34.6 32.4 18.5 22 22 A R T X 5 + 0 0 163 -3,-0.8 3,-1.9 -4,-0.2 -3,-0.2 0.889 41.0 172.7 47.3 44.1 36.9 29.6 19.7 23 23 A T T 3 < + 0 0 14 -5,-1.6 -4,-0.1 1,-0.3 -1,-0.1 0.836 69.2 39.4 -56.8 -38.1 33.7 27.9 21.0 24 24 A F T 3 S+ 0 0 15 -6,-0.4 51,-0.3 95,-0.3 2,-0.3 0.282 86.3 115.5-101.5 16.0 35.2 24.6 22.0 25 25 A E < - 0 0 69 -3,-1.9 2,-0.3 -4,-0.1 48,-0.1 -0.662 46.0-174.9 -88.4 133.9 38.5 26.0 23.4 26 26 A V - 0 0 17 -2,-0.3 2,-0.2 46,-0.1 -2,-0.1 -0.914 18.4-159.8-132.7 158.0 38.9 25.3 27.1 27 27 A T - 0 0 90 -2,-0.3 2,-1.8 47,-0.0 45,-0.0 -0.709 46.4 -82.3-124.3 176.0 41.0 26.0 30.1 28 28 A E + 0 0 59 -2,-0.2 2,-0.8 443,-0.1 6,-0.0 -0.491 57.8 178.9 -79.1 72.5 41.6 24.4 33.6 29 29 A D > - 0 0 51 -2,-1.8 3,-1.5 1,-0.1 43,-0.1 -0.688 21.1-166.7 -93.3 108.2 38.6 26.2 35.2 30 30 A E T 3 S+ 0 0 158 -2,-0.8 -1,-0.1 1,-0.3 4,-0.1 0.565 81.9 70.1 -68.2 -10.1 38.1 25.3 38.9 31 31 A S T 3 S+ 0 0 100 2,-0.1 2,-0.3 0, 0.0 -1,-0.3 0.496 98.3 57.7 -87.2 -3.0 34.6 26.9 39.0 32 32 A K S < S- 0 0 94 -3,-1.5 2,-0.4 40,-0.0 39,-0.1 -0.932 88.2-109.4-127.0 150.8 33.2 24.1 36.8 33 33 A E - 0 0 135 -2,-0.3 39,-2.6 37,-0.3 2,-0.1 -0.667 43.9-131.5 -73.2 128.5 33.0 20.3 36.9 34 34 A K E -a 72 0A 41 -2,-0.4 2,-0.3 37,-0.2 39,-0.2 -0.398 21.4-170.6 -80.0 151.7 35.4 19.0 34.2 35 35 A Y E -a 73 0A 25 37,-2.3 39,-2.4 -2,-0.1 2,-0.7 -0.896 5.7-162.4-143.3 123.9 34.6 16.3 31.6 36 36 A Y E -a 74 0A 0 -2,-0.3 456,-1.6 454,-0.3 457,-1.5 -0.921 9.2-176.1-108.6 107.3 37.3 14.8 29.4 37 37 A C E -b 493 0B 0 37,-2.4 2,-0.5 -2,-0.7 457,-0.2 -0.928 10.2-174.5-107.8 113.5 35.8 13.1 26.3 38 38 A L E -b 494 0B 0 455,-2.6 457,-2.8 -2,-0.6 2,-0.4 -0.924 15.3-168.3-121.6 129.9 38.5 11.4 24.2 39 39 A S E -b 495 0B 4 37,-0.5 457,-0.2 -2,-0.5 2,-0.2 -0.905 44.5 -92.5-108.3 144.4 38.4 9.6 20.9 40 40 A M - 0 0 16 455,-2.3 457,-0.1 -2,-0.4 16,-0.0 -0.307 51.6-111.1 -60.6 125.5 41.3 7.5 19.6 41 41 A L - 0 0 20 -2,-0.2 38,-0.1 1,-0.1 2,-0.1 -0.109 33.7-113.8 -60.5 143.4 43.5 9.8 17.5 42 42 A P - 0 0 2 0, 0.0 38,-2.2 0, 0.0 -1,-0.1 -0.511 13.2-126.8 -78.1 151.8 43.6 9.2 13.8 43 43 A Y - 0 0 53 36,-0.2 2,-2.3 -2,-0.1 3,-0.2 -0.833 33.1-118.6 -82.4 132.8 46.6 8.0 11.7 44 44 A P + 0 0 0 0, 0.0 61,-0.1 0, 0.0 60,-0.1 -0.397 54.8 153.1 -79.4 75.6 47.0 10.5 8.8 45 45 A S - 0 0 47 -2,-2.3 3,-0.1 2,-0.1 60,-0.1 0.736 69.7 -92.3 -77.4 -27.1 46.5 8.0 6.0 46 46 A G S S+ 0 0 17 -3,-0.2 2,-0.3 58,-0.2 -1,-0.0 -0.168 97.5 29.8 142.3 -40.1 45.1 10.6 3.5 47 47 A R S S- 0 0 92 60,-0.1 -2,-0.1 61,-0.0 61,-0.1 -1.000 80.3-101.6-149.4 150.5 41.4 10.4 4.1 48 48 A L - 0 0 2 -2,-0.3 550,-0.3 -3,-0.1 2,-0.2 -0.351 33.4-150.5 -64.6 145.1 38.8 9.7 6.7 49 49 A H >> - 0 0 107 547,-0.1 4,-1.8 548,-0.1 3,-0.6 -0.698 32.2-100.4-108.4 167.1 37.2 6.3 6.7 50 50 A M H 3> S+ 0 0 6 545,-0.4 4,-2.5 -2,-0.2 5,-0.2 0.823 120.9 61.5 -61.7 -30.3 33.6 5.5 7.9 51 51 A G H 3> S+ 0 0 36 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.901 103.2 49.7 -60.7 -40.4 35.1 4.1 11.2 52 52 A H H <> S+ 0 0 37 -3,-0.6 4,-3.1 2,-0.2 5,-0.3 0.951 109.2 52.7 -58.0 -49.8 36.5 7.5 12.0 53 53 A V H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.919 113.0 43.0 -55.1 -46.8 33.2 9.1 11.3 54 54 A R H X S+ 0 0 1 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.960 116.4 47.2 -62.3 -52.1 31.4 6.7 13.7 55 55 A N H X S+ 0 0 11 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.898 117.2 42.0 -56.2 -48.0 34.0 7.0 16.4 56 56 A Y H X S+ 0 0 3 -4,-3.1 4,-2.4 -5,-0.2 -1,-0.2 0.801 110.9 55.0 -78.4 -27.6 34.2 10.7 16.3 57 57 A T H X S+ 0 0 0 -4,-2.1 4,-2.7 -5,-0.3 5,-0.2 0.941 108.1 50.7 -68.8 -44.2 30.4 11.3 16.0 58 58 A I H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.960 113.4 45.3 -55.4 -52.2 29.9 9.3 19.2 59 59 A G H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.917 112.5 50.2 -58.4 -40.5 32.5 11.4 21.0 60 60 A D H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.854 106.9 55.5 -66.8 -37.8 31.1 14.7 19.7 61 61 A V H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.947 112.9 42.0 -54.8 -49.5 27.6 13.7 20.7 62 62 A I H X S+ 0 0 4 -4,-1.9 4,-2.9 -5,-0.2 5,-0.2 0.920 113.8 51.7 -66.1 -45.1 28.8 13.2 24.3 63 63 A A H X S+ 0 0 7 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.935 113.2 44.3 -58.2 -52.3 31.1 16.3 24.3 64 64 A R H X S+ 0 0 6 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.906 114.3 49.6 -59.7 -43.2 28.3 18.6 23.1 65 65 A Y H X S+ 0 0 7 -4,-2.3 4,-1.4 -5,-0.2 -2,-0.2 0.951 110.3 49.6 -64.7 -47.1 25.7 17.1 25.5 66 66 A Q H <>S+ 0 0 13 -4,-2.9 5,-1.9 1,-0.2 -1,-0.2 0.825 109.2 52.9 -62.0 -34.5 28.0 17.4 28.6 67 67 A R H ><5S+ 0 0 33 -4,-1.7 3,-1.6 -5,-0.2 -1,-0.2 0.904 106.4 52.9 -63.6 -43.9 28.7 21.0 27.7 68 68 A M H 3<5S+ 0 0 6 -4,-2.1 686,-2.6 1,-0.3 -2,-0.2 0.772 102.7 58.8 -64.8 -21.9 24.9 21.7 27.6 69 69 A L T 3<5S- 0 0 74 -4,-1.4 -1,-0.3 684,-0.2 -2,-0.2 0.529 127.1-101.5 -82.2 -7.7 24.7 20.2 31.1 70 70 A G T < 5S+ 0 0 45 -3,-1.6 -37,-0.3 1,-0.3 -3,-0.2 0.562 75.5 136.9 106.1 12.4 27.2 22.9 32.3 71 71 A K < - 0 0 39 -5,-1.9 2,-0.8 -39,-0.1 -1,-0.3 -0.517 61.1-114.0 -89.2 161.4 30.4 21.0 32.4 72 72 A N E -a 34 0A 13 -39,-2.6 -37,-2.3 -2,-0.2 2,-0.5 -0.837 42.7-157.2 -92.9 104.2 33.8 22.2 31.2 73 73 A V E -a 35 0A 4 -2,-0.8 2,-0.6 -39,-0.2 -37,-0.2 -0.780 18.1-163.7-104.2 122.3 34.5 19.8 28.4 74 74 A L E +a 36 0A 0 -39,-2.4 -37,-2.4 -2,-0.5 -49,-0.1 -0.886 16.6 166.8 -91.4 116.0 37.9 18.8 26.9 75 75 A Q - 0 0 4 -2,-0.6 45,-2.1 -51,-0.3 2,-0.2 -0.870 18.3-173.9-127.5 98.8 37.5 17.1 23.4 76 76 A P - 0 0 2 0, 0.0 -37,-0.5 0, 0.0 2,-0.3 -0.613 12.5-165.1-100.9 157.1 41.0 17.0 21.8 77 77 A I + 0 0 2 43,-0.4 48,-0.8 -2,-0.2 2,-0.3 -0.938 19.5 144.2-134.1 151.2 42.2 16.0 18.3 78 78 A G E -e 125 0C 0 -2,-0.3 2,-0.4 46,-0.2 48,-0.2 -0.948 41.0 -94.2-173.1-175.3 45.7 15.2 17.0 79 79 A W E -e 126 0C 1 46,-2.4 48,-2.7 -2,-0.3 2,-1.3 -0.985 6.7-151.3-131.8 119.7 47.7 13.0 14.6 80 80 A D + 0 0 27 -38,-2.2 46,-0.1 -2,-0.4 379,-0.0 -0.758 40.6 168.0 -83.6 93.9 49.5 9.7 15.3 81 81 A A + 0 0 0 -2,-1.3 -1,-0.2 -38,-0.1 5,-0.1 0.600 34.4 77.0-107.1 -18.6 51.8 10.7 12.6 82 82 A F + 0 0 1 -3,-0.1 314,-0.2 377,-0.1 2,-0.2 -0.341 61.9 92.4 -77.7 172.6 54.9 8.4 12.5 83 83 A G S > S- 0 0 11 312,-2.2 3,-0.7 1,-0.1 4,-0.5 -0.536 76.6 -61.8 125.8 175.1 54.8 4.9 11.1 84 84 A L T >> S+ 0 0 105 1,-0.2 3,-1.6 -2,-0.2 4,-1.2 0.848 107.6 66.3 -67.3 -46.1 55.2 2.5 8.1 85 85 A P H 3> S+ 0 0 75 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.843 95.9 60.8 -49.8 -33.6 52.7 3.6 5.5 86 86 A A H <> S+ 0 0 0 -3,-0.7 4,-2.3 1,-0.2 -2,-0.2 0.833 100.9 52.6 -67.9 -28.0 54.5 6.9 4.9 87 87 A E H <> S+ 0 0 31 -3,-1.6 4,-2.0 -4,-0.5 -1,-0.2 0.876 110.5 47.7 -75.0 -36.5 57.8 5.3 3.8 88 88 A G H X S+ 0 0 37 -4,-1.2 4,-2.5 -3,-0.2 -2,-0.2 0.897 114.0 46.6 -67.1 -43.6 55.9 3.2 1.2 89 89 A A H X S+ 0 0 15 -4,-2.3 4,-2.5 2,-0.2 6,-0.2 0.871 110.6 53.6 -64.6 -37.5 54.0 6.3 -0.1 90 90 A A H <>S+ 0 0 2 -4,-2.3 5,-1.6 -5,-0.2 -2,-0.2 0.949 112.6 43.6 -61.0 -47.1 57.3 8.3 -0.1 91 91 A V H <5S+ 0 0 70 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.973 114.8 48.0 -64.6 -53.9 59.0 5.6 -2.3 92 92 A K H <5S+ 0 0 191 -4,-2.5 -2,-0.2 -5,-0.1 -1,-0.2 0.913 121.8 35.5 -51.9 -54.1 56.0 5.1 -4.7 93 93 A N T <5S- 0 0 94 -4,-2.5 2,-0.0 -5,-0.2 -3,-0.0 0.015 106.3-108.5 -74.1-161.0 55.6 8.8 -5.2 94 94 A N T 5S+ 0 0 162 2,-0.1 -3,-0.2 332,-0.0 2,-0.2 -0.396 82.6 86.0-131.3 69.1 58.9 10.5 -5.2 95 95 A T S - 0 0 8 -2,-0.2 4,-1.7 330,-0.1 5,-0.2 -0.894 31.7-111.7-130.0 157.7 59.6 12.0 1.7 97 97 A P H > S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.878 110.3 56.0 -55.5 -39.6 57.7 10.7 4.6 98 98 A A H > S+ 0 0 1 325,-0.4 4,-2.8 2,-0.2 5,-0.2 0.972 109.8 40.6 -60.7 -58.6 57.5 14.2 6.3 99 99 A P H > S+ 0 0 52 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.880 115.5 52.5 -64.1 -35.7 55.9 16.3 3.5 100 100 A W H X S+ 0 0 42 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.922 111.3 47.5 -59.3 -46.3 53.5 13.4 2.6 101 101 A T H X S+ 0 0 0 -4,-2.2 4,-2.5 -5,-0.2 -1,-0.2 0.941 111.6 48.6 -61.2 -50.2 52.4 13.2 6.2 102 102 A Y H X S+ 0 0 71 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.890 110.0 52.7 -61.8 -37.4 51.9 17.0 6.7 103 103 A D H X S+ 0 0 112 -4,-2.3 4,-1.8 -5,-0.2 -1,-0.2 0.900 110.4 48.3 -59.3 -43.4 49.9 17.1 3.4 104 104 A N H X S+ 0 0 22 -4,-1.9 4,-2.8 -5,-0.2 5,-0.3 0.900 108.1 54.2 -65.9 -40.0 47.6 14.3 4.7 105 105 A I H X S+ 0 0 17 -4,-2.5 4,-3.1 1,-0.2 5,-0.2 0.968 108.7 49.7 -56.9 -51.0 47.2 16.1 8.1 106 106 A A H X S+ 0 0 63 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.856 113.2 45.4 -54.3 -44.3 46.0 19.2 6.3 107 107 A Y H X S+ 0 0 105 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.936 116.0 44.6 -69.1 -48.0 43.4 17.3 4.1 108 108 A M H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.882 109.0 57.7 -67.5 -35.4 42.0 15.2 7.0 109 109 A K H X S+ 0 0 61 -4,-3.1 4,-2.3 -5,-0.3 -1,-0.2 0.913 105.8 49.9 -55.8 -47.5 41.8 18.2 9.3 110 110 A N H X S+ 0 0 94 -4,-1.7 4,-2.3 -5,-0.2 -1,-0.2 0.897 109.9 52.4 -60.5 -36.6 39.6 20.0 6.8 111 111 A Q H X S+ 0 0 1 -4,-1.8 4,-0.9 2,-0.2 -2,-0.2 0.917 107.7 49.5 -65.8 -41.1 37.4 16.8 6.7 112 112 A L H >X>S+ 0 0 0 -4,-2.3 5,-1.2 1,-0.2 3,-0.8 0.912 111.7 49.4 -66.2 -43.0 37.0 16.7 10.4 113 113 A K H ><5S+ 0 0 52 -4,-2.3 3,-1.1 1,-0.2 -1,-0.2 0.888 106.3 56.6 -57.7 -39.3 36.0 20.4 10.4 114 114 A M 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2,-0.2 -2,-0.2 0.905 113.3 49.3 -61.2 -44.6 -1.4 16.0 27.5 668 701 A L H X S+ 0 0 34 -4,-2.9 4,-1.5 2,-0.2 -2,-0.2 0.889 111.8 47.5 -60.5 -42.3 0.8 17.3 24.7 669 702 A R H X S+ 0 0 23 -4,-2.4 4,-2.2 -5,-0.2 5,-0.2 0.915 106.6 58.8 -68.5 -41.4 3.0 19.3 27.1 670 703 A R H X S+ 0 0 55 -4,-2.2 4,-2.8 1,-0.2 5,-0.2 0.898 105.4 49.4 -48.7 -45.3 3.3 16.1 29.2 671 704 A D H X S+ 0 0 33 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.841 106.6 55.7 -69.5 -32.5 4.7 14.3 26.2 672 705 A V H X S+ 0 0 1 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.967 114.0 40.6 -59.0 -46.7 7.3 17.1 25.6 673 706 A H H X S+ 0 0 9 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.904 112.9 50.9 -78.1 -40.8 8.5 16.8 29.1 674 707 A K H X S+ 0 0 98 -4,-2.8 4,-2.8 2,-0.2 -1,-0.2 0.908 110.5 52.7 -55.2 -42.3 8.5 13.0 29.3 675 708 A T H X S+ 0 0 20 -4,-1.8 4,-3.0 -5,-0.2 5,-0.3 0.947 107.1 51.1 -60.5 -47.7 10.4 13.0 26.1 676 709 A I H X S+ 0 0 5 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.903 111.6 49.3 -53.3 -41.8 13.0 15.4 27.7 677 710 A A H X S+ 0 0 43 -4,-2.3 4,-1.9 1,-0.2 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0.858 69.9 59.0 -63.2 -33.8 21.8 7.0 21.3 690 723 A N H > S+ 0 0 37 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.880 108.7 43.1 -68.9 -38.7 19.5 5.2 18.9 691 724 A T H > S+ 0 0 43 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.760 108.5 60.5 -77.7 -23.5 16.5 5.2 21.2 692 725 A A H X S+ 0 0 0 -4,-1.3 4,-1.7 2,-0.2 -2,-0.2 0.959 109.6 43.1 -66.1 -43.9 17.2 8.8 22.2 693 726 A I H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 -2,-0.2 0.901 110.7 53.4 -65.0 -45.6 16.7 9.7 18.6 694 727 A A H X S+ 0 0 38 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.825 106.3 55.1 -55.7 -38.9 13.6 7.5 18.2 695 728 A A H X S+ 0 0 13 -4,-1.8 4,-1.4 2,-0.2 -1,-0.2 0.889 109.0 46.7 -62.3 -41.4 12.2 9.3 21.2 696 729 A I H X S+ 0 0 0 -4,-1.7 4,-2.6 2,-0.2 3,-0.2 0.946 111.5 51.9 -64.4 -46.0 12.7 12.7 19.5 697 730 A M H X S+ 0 0 32 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.916 107.3 52.0 -58.5 -42.9 11.2 11.3 16.2 698 731 A E H X S+ 0 0 126 -4,-2.3 4,-0.9 1,-0.2 -1,-0.2 0.844 110.6 48.8 -65.5 -34.7 8.0 10.1 18.1 699 732 A L H >X S+ 0 0 2 -4,-1.4 4,-2.6 -3,-0.2 3,-0.7 0.932 108.3 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