==== 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 23-APR-12 4ARC . 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 . 814 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38010.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 542 66.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 3.6 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 . 3 0.4 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 . 54 6.6 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 . 238 29.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 2.0 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 0 1 3 2 0 4 1 0 0 3 0 2 0 2 1 0 0 1 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 3 2 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 3 2 3 1 1 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 3 0 0 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 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 0.000 360.0 360.0 360.0 131.9 -31.9 -0.4 -1.4 2 2 A Q - 0 0 105 1,-0.1 4,-0.0 2,-0.1 632,-0.0 -0.372 360.0-140.5 -67.2 141.4 -30.0 1.1 -4.4 3 3 A E S S+ 0 0 137 -2,-0.1 2,-0.4 2,-0.0 -1,-0.1 0.863 83.9 66.9 -72.6 -33.4 -27.5 -1.3 -6.1 4 4 A Q S S- 0 0 112 2,-0.0 2,-0.7 626,-0.0 -2,-0.1 -0.729 80.3-132.4 -96.2 133.5 -24.9 1.5 -6.5 5 5 A Y + 0 0 9 -2,-0.4 3,-0.1 622,-0.0 622,-0.1 -0.762 30.6 177.8 -77.9 117.9 -23.0 3.1 -3.7 6 6 A R >> - 0 0 60 -2,-0.7 3,-2.0 1,-0.1 4,-0.7 -0.823 18.4-171.3-127.6 90.2 -23.3 6.9 -4.5 7 7 A P H >> S+ 0 0 15 0, 0.0 4,-2.8 0, 0.0 3,-1.2 0.871 88.7 61.8 -54.4 -32.4 -21.7 9.0 -1.8 8 8 A E H 34 S+ 0 0 130 1,-0.2 4,-0.3 2,-0.2 586,-0.0 0.803 105.5 45.5 -59.5 -31.6 -23.3 12.1 -3.5 9 9 A E H <4 S+ 0 0 95 -3,-2.0 -1,-0.2 2,-0.1 -4,-0.0 0.517 124.4 31.8 -87.5 -2.2 -26.8 10.7 -2.9 10 10 A I H S+ 0 0 67 -5,-0.4 4,-2.1 -4,-0.3 -1,-0.2 0.829 113.4 53.3 -70.6 -29.4 -25.5 15.4 2.4 13 13 A K H > S+ 0 0 143 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.929 111.2 44.7 -68.1 -48.1 -28.7 13.8 3.4 14 14 A V H X S+ 0 0 7 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.922 112.4 53.3 -58.8 -43.2 -27.2 12.1 6.5 15 15 A Q H X S+ 0 0 23 -4,-2.5 4,-1.5 -5,-0.3 -2,-0.2 0.900 107.4 50.4 -60.3 -42.4 -25.4 15.4 7.3 16 16 A L H X S+ 0 0 95 -4,-2.1 4,-3.6 1,-0.2 -1,-0.2 0.905 107.3 55.5 -62.1 -39.1 -28.8 17.3 7.2 17 17 A H H X S+ 0 0 38 -4,-1.9 4,-3.1 1,-0.2 5,-0.3 0.915 105.8 51.0 -60.5 -41.6 -30.3 14.7 9.5 18 18 A W H <>S+ 0 0 17 -4,-2.2 5,-1.1 2,-0.2 4,-0.4 0.844 114.2 44.5 -62.9 -36.3 -27.5 15.3 12.1 19 19 A D H ><5S+ 0 0 58 -4,-1.5 3,-0.6 3,-0.2 -2,-0.2 0.948 115.4 46.9 -70.3 -48.0 -28.3 19.0 11.8 20 20 A E H 3<5S+ 0 0 135 -4,-3.6 -2,-0.2 1,-0.3 -3,-0.2 0.905 120.7 37.1 -62.0 -44.0 -32.1 18.6 12.0 21 21 A K T 3<5S- 0 0 142 -4,-3.1 -1,-0.3 -5,-0.2 -2,-0.2 0.555 99.0-134.3 -85.6 -6.8 -32.0 16.2 14.9 22 22 A R T X 5 + 0 0 150 -3,-0.6 3,-1.9 -4,-0.4 -3,-0.2 0.917 38.6 173.1 54.0 41.6 -29.1 17.9 16.6 23 23 A T T 3 < + 0 0 17 -5,-1.1 -4,-0.1 1,-0.3 -1,-0.1 0.860 70.0 42.5 -51.7 -42.8 -27.6 14.5 17.1 24 24 A F T 3 S+ 0 0 14 -6,-0.4 2,-0.4 95,-0.3 51,-0.4 0.367 85.4 111.6 -97.7 9.3 -24.3 15.7 18.5 25 25 A E < - 0 0 60 -3,-1.9 2,-0.3 -4,-0.1 48,-0.1 -0.619 47.2-177.9 -82.1 133.2 -25.6 18.4 20.8 26 26 A V - 0 0 12 -2,-0.4 2,-0.2 46,-0.1 -2,-0.1 -0.949 18.0-155.5-133.5 160.3 -25.1 17.5 24.4 27 27 A T - 0 0 94 -2,-0.3 2,-1.8 47,-0.0 0, 0.0 -0.633 45.0 -82.7-122.0 179.1 -25.9 18.9 27.9 28 28 A E + 0 0 67 -2,-0.2 2,-0.9 432,-0.1 6,-0.0 -0.515 55.7 179.9 -85.9 75.2 -24.3 18.4 31.4 29 29 A D > - 0 0 44 -2,-1.8 3,-2.0 1,-0.2 43,-0.1 -0.655 19.1-166.9 -89.6 108.0 -26.1 15.2 32.2 30 30 A E T 3 S+ 0 0 151 -2,-0.9 -1,-0.2 1,-0.3 4,-0.1 0.560 84.0 66.5 -72.6 -9.5 -25.1 13.9 35.6 31 31 A S T 3 S+ 0 0 104 2,-0.1 2,-0.3 -3,-0.0 -1,-0.3 0.486 98.7 61.2 -88.7 0.6 -26.7 10.6 34.9 32 32 A K S < S- 0 0 108 -3,-2.0 2,-0.4 40,-0.0 39,-0.1 -0.907 88.4-110.0-120.6 156.1 -24.2 9.8 32.2 33 33 A E - 0 0 127 -2,-0.3 39,-2.8 37,-0.3 2,-0.1 -0.706 41.2-134.5 -80.4 127.3 -20.4 9.3 32.1 34 34 A K E -a 72 0A 36 -2,-0.4 2,-0.3 37,-0.2 39,-0.2 -0.408 21.5-173.8 -82.7 155.8 -18.9 12.3 30.3 35 35 A Y E -a 73 0A 24 37,-2.2 39,-2.2 -2,-0.1 2,-0.6 -0.899 7.2-161.8-146.1 126.4 -16.2 12.2 27.6 36 36 A Y E -a 74 0A 0 -2,-0.3 445,-1.8 443,-0.3 446,-1.6 -0.934 8.2-175.0-113.1 111.4 -14.6 15.4 26.2 37 37 A C E -b 482 0B 0 37,-2.4 2,-0.4 -2,-0.6 446,-0.2 -0.944 10.6-173.1-108.6 115.4 -12.8 14.8 22.9 38 38 A L E -b 483 0B 0 444,-3.1 446,-2.7 -2,-0.6 2,-0.4 -0.948 14.8-167.8-121.3 130.0 -11.0 17.9 21.8 39 39 A S E -b 484 0B 5 37,-0.5 446,-0.2 -2,-0.4 17,-0.1 -0.909 43.4 -94.3-105.0 143.1 -9.2 18.8 18.5 40 40 A M - 0 0 3 444,-2.3 446,-0.0 -2,-0.4 16,-0.0 -0.283 49.2-115.5 -54.4 121.0 -7.1 21.9 18.2 41 41 A L - 0 0 2 1,-0.1 38,-0.1 411,-0.1 -1,-0.1 -0.337 32.6-115.8 -68.3 142.6 -9.4 24.6 16.6 42 42 A P - 0 0 0 0, 0.0 38,-2.3 0, 0.0 -1,-0.1 -0.367 13.8-118.1 -80.4 154.6 -8.4 25.8 13.1 43 43 A Y - 0 0 99 36,-0.2 2,-1.9 -2,-0.1 3,-0.2 -0.782 35.2-119.1 -77.4 135.6 -7.2 29.3 12.0 44 44 A P + 0 0 8 0, 0.0 61,-0.2 0, 0.0 60,-0.2 -0.511 59.2 149.2 -78.4 73.2 -9.9 30.4 9.4 45 45 A S - 0 0 51 -2,-1.9 3,-0.1 2,-0.2 60,-0.1 0.666 69.9 -84.9 -83.9 -27.8 -7.3 30.7 6.6 46 46 A G S S+ 0 0 18 -3,-0.2 2,-0.3 58,-0.2 61,-0.0 -0.213 96.1 15.0 153.6 -49.2 -9.6 29.9 3.7 47 47 A R S S- 0 0 84 61,-0.0 2,-0.2 60,-0.0 -2,-0.2 -0.982 78.6 -95.2-150.6 156.4 -9.8 26.1 3.2 48 48 A L - 0 0 2 -2,-0.3 539,-0.3 -3,-0.1 2,-0.2 -0.509 35.9-153.6 -67.3 144.3 -9.0 23.0 5.1 49 49 A H >> - 0 0 89 -2,-0.2 4,-1.7 536,-0.1 3,-0.8 -0.655 34.2 -95.3-108.3 173.0 -5.7 21.3 4.4 50 50 A M H 3> S+ 0 0 5 534,-0.5 4,-2.7 1,-0.2 5,-0.2 0.823 121.5 59.5 -60.6 -35.2 -4.9 17.6 4.8 51 51 A G H 3> S+ 0 0 38 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.853 105.1 50.9 -61.5 -33.7 -3.5 17.9 8.4 52 52 A H H <> S+ 0 0 31 -3,-0.8 4,-2.6 2,-0.2 5,-0.3 0.921 109.7 50.8 -64.2 -46.8 -6.9 19.4 9.5 53 53 A V H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 5,-0.2 0.940 113.1 44.3 -60.7 -43.4 -8.6 16.4 7.9 54 54 A R H X S+ 0 0 1 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.951 115.2 48.0 -64.0 -51.1 -6.4 13.9 9.7 55 55 A N H X S+ 0 0 10 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.938 117.1 41.1 -52.6 -47.0 -6.6 15.7 13.0 56 56 A Y H X S+ 0 0 1 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.831 111.2 56.1 -83.9 -26.3 -10.4 16.0 13.0 57 57 A T H X S+ 0 0 0 -4,-2.4 4,-2.6 -5,-0.3 -1,-0.2 0.942 106.5 51.3 -66.0 -43.2 -11.0 12.6 11.6 58 58 A I H X S+ 0 0 1 -4,-2.4 4,-1.9 -5,-0.2 -2,-0.2 0.945 111.9 45.9 -58.1 -50.9 -9.0 11.1 14.5 59 59 A G H X S+ 0 0 0 -4,-2.0 4,-3.1 1,-0.2 -1,-0.2 0.894 112.9 51.0 -57.1 -41.0 -11.2 13.1 17.1 60 60 A D H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 5,-0.3 0.893 106.1 53.6 -69.7 -38.0 -14.4 12.1 15.3 61 61 A V H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.950 115.4 41.6 -54.4 -50.4 -13.5 8.5 15.3 62 62 A I H X S+ 0 0 6 -4,-1.9 4,-2.8 -5,-0.2 -2,-0.2 0.903 113.7 51.3 -67.1 -45.9 -13.0 8.7 19.0 63 63 A A H X S+ 0 0 5 -4,-3.1 4,-1.5 1,-0.2 -1,-0.2 0.893 113.9 44.5 -57.3 -43.9 -16.0 10.9 19.7 64 64 A R H X S+ 0 0 5 -4,-2.6 4,-1.9 -5,-0.2 -2,-0.2 0.888 113.2 50.6 -74.4 -36.1 -18.3 8.5 17.8 65 65 A Y H X S+ 0 0 8 -4,-2.1 4,-1.5 -5,-0.3 -2,-0.2 0.941 109.4 49.7 -62.5 -49.8 -16.9 5.4 19.3 66 66 A Q H <>S+ 0 0 17 -4,-2.8 5,-2.4 1,-0.2 -1,-0.2 0.832 108.5 54.4 -62.5 -31.8 -17.2 6.8 22.9 67 67 A R H ><5S+ 0 0 34 -4,-1.5 3,-1.8 -5,-0.2 -1,-0.2 0.931 105.9 51.6 -65.5 -42.0 -20.8 7.7 22.2 68 68 A M H 3<5S+ 0 0 7 -4,-1.9 675,-2.2 1,-0.3 -2,-0.2 0.745 102.9 59.4 -68.7 -23.4 -21.5 4.1 21.1 69 69 A L T 3<5S- 0 0 74 -4,-1.5 -1,-0.3 673,-0.2 -2,-0.2 0.498 127.4-102.6 -73.7 -10.6 -20.0 2.9 24.4 70 70 A G T < 5S+ 0 0 54 -3,-1.8 -37,-0.3 1,-0.3 -3,-0.2 0.512 74.5 139.8 100.0 9.4 -22.8 5.0 26.1 71 71 A K < - 0 0 44 -5,-2.4 2,-0.8 -39,-0.1 -1,-0.3 -0.367 59.7-117.1 -81.5 162.2 -20.8 8.1 27.1 72 72 A N E -a 34 0A 7 -39,-2.8 -37,-2.2 -43,-0.1 2,-0.6 -0.931 43.6-160.5 -98.0 100.8 -22.1 11.7 27.0 73 73 A V E -a 35 0A 4 -2,-0.8 2,-0.6 -39,-0.2 -37,-0.2 -0.869 18.2-162.4-104.5 119.8 -19.5 13.0 24.5 74 74 A L E +a 36 0A 0 -39,-2.2 -37,-2.4 -2,-0.6 -49,-0.1 -0.862 15.1 169.5 -93.8 121.9 -18.7 16.6 23.9 75 75 A Q - 0 0 4 -2,-0.6 45,-2.0 -51,-0.4 2,-0.2 -0.846 16.7-174.7-131.4 97.1 -16.9 17.3 20.6 76 76 A P - 0 0 2 0, 0.0 -37,-0.5 0, 0.0 2,-0.3 -0.511 11.9-164.4 -97.2 156.8 -16.7 21.0 20.0 77 77 A I + 0 0 2 43,-0.4 48,-0.8 -2,-0.2 2,-0.3 -0.930 18.9 145.8-135.5 156.0 -15.4 23.1 17.0 78 78 A G E -d 125 0C 0 -2,-0.3 2,-0.4 46,-0.2 48,-0.2 -0.950 40.0 -93.7-174.1-174.8 -14.6 26.8 16.7 79 79 A W E -d 126 0C 0 46,-2.3 48,-2.6 -2,-0.3 2,-1.3 -0.978 8.0-150.2-133.5 121.7 -12.3 29.4 15.0 80 80 A D + 0 0 1 -38,-2.3 46,-0.1 -2,-0.4 368,-0.0 -0.743 40.6 168.2 -89.4 90.3 -9.0 30.9 16.2 81 81 A A + 0 0 5 -2,-1.3 -1,-0.2 -38,-0.2 5,-0.1 0.676 33.9 76.3-103.7 -21.7 -9.9 34.0 14.2 82 82 A F + 0 0 8 -3,-0.1 303,-0.2 366,-0.1 2,-0.1 -0.282 59.9 88.7 -76.2 173.3 -7.6 36.9 15.1 83 83 A G S > S- 0 0 14 301,-2.2 3,-0.6 1,-0.1 4,-0.5 -0.468 81.0 -63.2 126.0 171.5 -4.0 37.2 13.9 84 84 A L T >> S+ 0 0 81 1,-0.2 3,-1.9 2,-0.2 4,-1.7 0.854 108.4 72.9 -56.4 -47.7 -1.7 38.6 11.1 85 85 A P H 3> S+ 0 0 94 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.816 95.8 53.2 -46.1 -39.1 -2.9 36.6 8.0 86 86 A A H <> S+ 0 0 4 -3,-0.6 4,-2.9 1,-0.2 5,-0.2 0.765 105.6 54.4 -67.6 -31.0 -6.2 38.5 7.8 87 87 A E H <> S+ 0 0 30 -3,-1.9 4,-2.2 -4,-0.5 -1,-0.2 0.912 108.3 49.3 -66.1 -44.8 -4.4 41.9 7.8 88 88 A G H X S+ 0 0 46 -4,-1.7 4,-2.8 2,-0.2 -2,-0.2 0.927 116.0 42.9 -53.6 -46.7 -2.3 40.7 4.8 89 89 A A H X S+ 0 0 17 -4,-1.9 4,-2.6 -5,-0.2 6,-0.3 0.908 109.7 54.6 -76.0 -42.8 -5.4 39.5 3.0 90 90 A A H <>S+ 0 0 1 -4,-2.9 5,-1.0 2,-0.2 -1,-0.2 0.956 112.9 46.3 -50.4 -54.0 -7.5 42.6 3.8 91 91 A V H <5S+ 0 0 75 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.976 112.7 47.2 -52.8 -61.7 -4.7 44.7 2.3 92 92 A K H <5S+ 0 0 183 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.814 118.2 45.9 -54.1 -33.4 -4.2 42.6 -0.8 93 93 A N T <5S- 0 0 77 -4,-2.6 0, 0.0 -5,-0.1 0, 0.0 -0.241 103.7 -92.8 -99.5-170.0 -8.0 42.5 -1.4 94 94 A N T 5S+ 0 0 161 -2,-0.1 -3,-0.1 2,-0.1 -4,-0.1 0.196 94.0 86.2 -82.3 20.2 -10.7 45.3 -1.4 95 95 A T S - 0 0 9 319,-0.1 4,-1.7 -2,-0.1 5,-0.2 -0.899 41.7-109.4-118.3 154.0 -11.1 44.5 6.0 97 97 A P H > S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.867 110.8 56.1 -49.8 -45.1 -9.9 41.6 8.2 98 98 A A H > S+ 0 0 0 314,-0.4 4,-3.3 1,-0.2 5,-0.2 0.961 108.3 43.0 -58.5 -60.2 -13.4 40.9 9.7 99 99 A P H > S+ 0 0 58 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.868 114.9 50.9 -58.9 -37.0 -15.4 40.3 6.6 100 100 A W H X S+ 0 0 46 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.935 113.0 47.3 -61.0 -43.8 -12.5 38.2 5.1 101 101 A T H X S+ 0 0 0 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.946 111.4 49.3 -63.7 -47.3 -12.5 36.2 8.3 102 102 A Y H X S+ 0 0 76 -4,-3.3 4,-2.0 1,-0.2 -1,-0.2 0.877 110.3 50.1 -64.8 -34.2 -16.2 35.7 8.4 103 103 A D H X S+ 0 0 113 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.912 110.6 50.7 -66.6 -41.3 -16.3 34.5 4.8 104 104 A N H X S+ 0 0 21 -4,-2.2 4,-2.4 1,-0.2 5,-0.3 0.912 107.8 53.7 -65.2 -39.8 -13.4 32.0 5.5 105 105 A I H X S+ 0 0 17 -4,-2.5 4,-3.0 1,-0.2 5,-0.2 0.945 109.0 48.5 -57.1 -49.3 -15.4 30.7 8.5 106 106 A A H X S+ 0 0 64 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.861 113.5 46.3 -58.5 -45.1 -18.4 30.0 6.4 107 107 A Y H X S+ 0 0 100 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.920 116.6 42.6 -64.8 -44.5 -16.5 28.3 3.7 108 108 A M H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.866 109.9 57.8 -75.4 -32.4 -14.5 26.1 6.1 109 109 A K H X S+ 0 0 64 -4,-3.0 4,-2.4 -5,-0.3 -1,-0.2 0.945 106.4 49.7 -58.4 -47.0 -17.6 25.3 8.3 110 110 A N H X S+ 0 0 91 -4,-1.8 4,-2.1 -5,-0.2 -1,-0.2 0.898 109.3 52.2 -60.8 -39.4 -19.3 24.0 5.2 111 111 A Q H X S+ 0 0 3 -4,-1.7 4,-1.2 1,-0.2 -2,-0.2 0.934 108.3 50.5 -62.4 -42.1 -16.1 21.8 4.5 112 112 A L H <>S+ 0 0 0 -4,-2.5 5,-1.4 1,-0.2 4,-0.4 0.888 109.8 50.1 -64.4 -38.4 -16.2 20.4 7.9 113 113 A K H ><5S+ 0 0 53 -4,-2.4 3,-1.3 1,-0.2 -1,-0.2 0.891 106.2 56.5 -66.8 -34.9 -19.9 19.5 7.6 114 114 A M H 3<5S+ 0 0 50 -4,-2.1 481,-0.3 1,-0.3 -1,-0.2 0.721 104.3 52.5 -68.5 -21.8 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46.9 -52.6 -47.1 -15.4 -7.4 17.7 666 710 A A H X S+ 0 0 41 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.897 115.2 44.7 -64.9 -41.4 -13.0 -8.0 20.7 667 711 A K H X S+ 0 0 117 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.901 113.3 47.8 -70.1 -46.2 -9.9 -7.0 18.7 668 712 A V H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 5,-0.3 0.906 112.4 52.2 -62.9 -41.2 -11.4 -3.9 17.1 669 713 A T H X>S+ 0 0 43 -4,-2.5 4,-2.6 -5,-0.3 5,-0.5 0.959 113.0 43.0 -56.7 -50.7 -12.7 -2.9 20.6 670 714 A D H X>S+ 0 0 59 -4,-2.2 5,-2.5 1,-0.2 4,-1.6 0.880 115.2 51.0 -66.2 -37.4 -9.3 -3.3 22.2 671 715 A D H <>S+ 0 0 3 -4,-2.7 6,-1.6 3,-0.2 5,-0.6 0.882 117.2 36.6 -70.2 -42.5 -7.5 -1.5 19.2 672 716 A I H <5S+ 0 0 4 -4,-2.6 -2,-0.2 4,-0.2 -3,-0.2 0.951 128.5 32.0 -73.2 -49.2 -9.8 1.5 19.1 673 717 A G H <5S+ 0 0 33 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.2 0.846 132.0 18.4 -86.5 -39.1 -10.3 1.9 22.8 674 718 A R T < + 0 0 28 -6,-1.6 4,-1.6 1,-0.2 -1,-0.2 -0.797 19.5 171.0-103.2 86.4 -4.2 1.6 16.7 678 722 A F H > S+ 0 0 4 -2,-0.8 4,-2.3 1,-0.2 5,-0.2 0.815 70.8 62.2 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73.8-104.7 -52.2 -28.9 -19.5 1.0 699 743 A G S > S- 0 0 39 1,-0.1 4,-2.0 4,-0.0 5,-0.1 -0.286 88.9-116.5 -61.7 151.9 -30.0 -21.6 4.1 700 744 A E H > S+ 0 0 146 1,-0.2 4,-2.0 2,-0.2 -57,-0.3 0.811 114.6 49.7 -59.2 -39.3 -31.9 -19.7 6.8 701 745 A Q H > S+ 0 0 46 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.850 106.9 53.2 -69.2 -43.2 -29.2 -20.2 9.4 702 746 A D H > S+ 0 0 39 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.931 112.1 48.6 -56.6 -42.1 -26.4 -19.0 7.0 703 747 A R H X S+ 0 0 21 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.854 109.2 49.5 -67.4 -40.5 -28.6 -15.8 6.6 704 748 A A H X S+ 0 0 5 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.857 111.8 50.5 -64.7 -36.2 -29.2 -15.2 10.3 705 749 A L H X S+ 0 0 3 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.918 110.9 47.8 -67.3 -46.1 -25.5 -15.5 10.9 706 750 A M H X S+ 0 0 2 -4,-2.2 4,-2.9 1,-0.2 5,-0.3 0.911 108.7 55.7 -58.9 -43.2 -24.7 -13.0 8.1 707 751 A Q H X S+ 0 0 33 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.918 109.4 45.6 -55.4 -48.3 -27.3 -10.7 9.5 708 752 A E H X S+ 0 0 54 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.927 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