==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 24-NOV-09 3KT6 . COMPND 2 MOLECULE: TRYPTOPHANYL-TRNA SYNTHETASE, CYTOPLASMIC; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR M.ZHOU,X.DONG,C.ZHONG,N.SHEN,J.DING . 1630 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 64933.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1112 68.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 84 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 93 5.7 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 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 0.6 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 . 70 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 143 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 619 38.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 30 1.8 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 7 1 0 8 13 5 2 13 7 4 1 0 2 5 0 0 0 0 0 3 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 0 0 12 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 . 13 13 0 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 8 3 0 0 0 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 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 17 A L 0 0 83 0, 0.0 2,-0.2 0, 0.0 1414,-0.1 0.000 360.0 360.0 360.0 156.7 -177.7 36.1 -58.6 2 18 A K - 0 0 122 1413,-0.0 2,-0.4 1414,-0.0 20,-0.0 -0.612 360.0 -80.2-115.8-175.9 -177.4 34.1 -55.4 3 19 A S - 0 0 17 -2,-0.2 3,-0.3 1,-0.1 1413,-0.2 -0.699 22.6-172.5 -97.1 135.5 -174.5 33.1 -53.2 4 20 A T S S+ 0 0 38 -2,-0.4 1227,-0.4 1411,-0.4 -1,-0.1 0.253 85.0 61.8 -99.4 8.8 -171.9 30.3 -53.9 5 21 A D + 0 0 25 1410,-0.4 2,-1.3 16,-0.1 -1,-0.2 -0.231 55.9 159.9-132.8 44.0 -170.4 30.9 -50.4 6 22 A V + 0 0 108 -3,-0.3 2,-0.4 13,-0.1 15,-0.2 -0.559 30.3 174.5 -67.7 96.0 -173.1 30.1 -47.9 7 23 A K B -A 20 0A 27 13,-1.8 13,-1.2 -2,-1.3 2,-0.2 -0.920 29.6-149.0-123.2 131.0 -170.6 29.6 -45.0 8 24 A E - 0 0 109 -2,-0.4 11,-0.3 11,-0.2 2,-0.2 -0.616 40.7 -92.7 -87.2 153.6 -171.0 28.9 -41.3 9 25 A Q - 0 0 15 9,-0.3 2,-0.5 -2,-0.2 9,-0.2 -0.502 42.4-148.8 -68.4 131.6 -168.3 30.1 -38.8 10 26 A V E -C 17 0B 9 7,-0.9 7,-2.5 -2,-0.2 2,-0.5 -0.917 17.2-179.2-112.8 122.6 -165.7 27.4 -38.2 11 27 A V E +C 16 0B 7 -2,-0.5 5,-0.2 1213,-0.2 1213,-0.1 -0.975 16.9 148.9-122.6 116.2 -163.9 26.9 -34.9 12 28 A T - 0 0 8 3,-2.6 3,-0.2 -2,-0.5 230,-0.1 -0.858 62.5 -96.1-132.7 169.0 -161.3 24.1 -34.5 13 29 A P S S+ 0 0 14 0, 0.0 3,-0.1 0, 0.0 229,-0.1 0.589 127.0 30.2 -60.7 -7.4 -158.1 23.7 -32.5 14 30 A W S S+ 0 0 88 1,-0.2 2,-0.4 228,-0.0 -3,-0.0 0.521 118.6 47.2-128.3 -13.8 -156.2 24.8 -35.7 15 31 A D - 0 0 86 -3,-0.2 -3,-2.6 227,-0.1 2,-0.4 -0.993 46.0-172.7-139.3 141.2 -158.6 27.2 -37.6 16 32 A V E +C 11 0B 22 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.942 19.9 174.2-131.1 110.2 -160.7 30.2 -36.9 17 33 A E E -C 10 0B 44 -7,-2.5 -7,-0.9 -2,-0.4 261,-0.1 -0.932 29.4-134.2-125.1 147.5 -162.9 31.4 -39.7 18 34 A G - 0 0 12 -2,-0.3 12,-0.3 -9,-0.2 -9,-0.3 0.795 35.9-123.2 -70.5 -40.4 -165.6 34.1 -39.9 19 35 A G - 0 0 9 -11,-0.3 7,-2.9 10,-0.1 2,-0.4 0.258 20.0-121.2 93.3 135.9 -168.6 32.7 -41.7 20 36 A V B -AB 7 25A 16 -13,-1.2 -13,-1.8 5,-0.2 5,-0.3 -0.944 25.1-177.6-123.0 129.0 -170.2 34.2 -44.8 21 37 A D - 0 0 98 3,-2.6 3,-0.5 -2,-0.4 -16,-0.1 -0.239 48.6 -97.3 -98.1-170.2 -173.7 35.5 -45.4 22 38 A E S S+ 0 0 64 1,-0.2 3,-0.1 -2,-0.1 1396,-0.1 0.595 126.3 62.3 -78.7 -17.1 -175.5 37.0 -48.5 23 39 A Q S S- 0 0 122 1,-0.4 -1,-0.2 1391,-0.1 2,-0.2 0.245 124.6 -94.4 -90.1 10.6 -174.7 40.3 -46.8 24 40 A G - 0 0 4 -3,-0.5 -3,-2.6 1390,-0.2 -1,-0.4 -0.462 64.9 -32.1 101.9-178.2 -170.9 39.5 -47.2 25 41 A R B S-B 20 0A 88 1393,-2.2 -5,-0.2 -5,-0.3 2,-0.1 -0.468 71.8 -99.9 -74.7 146.4 -168.4 37.8 -44.8 26 42 A A - 0 0 35 -7,-2.9 -8,-0.1 -2,-0.1 -1,-0.1 -0.411 19.4-154.6 -67.5 139.4 -168.8 38.4 -41.0 27 43 A Q S S+ 0 0 56 -2,-0.1 250,-1.2 249,-0.1 2,-0.3 0.658 79.1 33.5 -86.0 -19.1 -166.6 41.0 -39.5 28 44 A N S S- 0 0 83 248,-0.2 2,-0.5 -10,-0.1 298,-0.0 -0.852 86.3-103.8-130.2 165.6 -166.8 39.3 -36.1 29 45 A I - 0 0 15 -2,-0.3 2,-1.1 240,-0.1 3,-0.1 -0.826 34.5-132.0 -86.3 124.9 -167.1 35.9 -34.5 30 46 A D > - 0 0 81 -2,-0.5 4,-1.6 -12,-0.3 5,-0.1 -0.702 25.3-176.9 -80.0 100.6 -170.7 35.3 -33.3 31 47 A Y H > S+ 0 0 27 -2,-1.1 4,-0.9 1,-0.2 -1,-0.2 0.659 78.3 58.4 -78.1 -17.3 -170.1 33.9 -29.8 32 48 A D H > S+ 0 0 124 2,-0.2 4,-1.3 1,-0.1 -1,-0.2 0.906 109.3 44.1 -72.1 -45.3 -173.8 33.3 -29.1 33 49 A K H > S+ 0 0 92 1,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.851 108.8 58.4 -66.5 -35.3 -174.0 31.0 -32.1 34 50 A L H X S+ 0 0 0 -4,-1.6 4,-2.2 1,-0.2 -1,-0.2 0.829 102.0 55.1 -63.5 -33.5 -170.8 29.4 -31.1 35 51 A I H X>S+ 0 0 13 -4,-0.9 5,-2.5 2,-0.2 4,-0.8 0.889 112.0 43.1 -64.9 -40.0 -172.4 28.5 -27.7 36 52 A K H <5S+ 0 0 185 -4,-1.3 -2,-0.2 3,-0.2 -1,-0.2 0.911 113.6 50.6 -71.0 -44.5 -175.2 26.7 -29.6 37 53 A Q H <5S+ 0 0 55 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.914 118.2 37.6 -58.9 -47.8 -172.9 25.0 -32.1 38 54 A F H <5S- 0 0 6 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.640 109.2-126.1 -80.1 -16.6 -170.6 23.6 -29.3 39 55 A G T <5 + 0 0 49 -4,-0.8 -3,-0.2 -5,-0.2 2,-0.1 0.930 57.2 144.9 69.9 49.5 -173.6 23.0 -27.0 40 56 A T < - 0 0 21 -5,-2.5 32,-0.2 -6,-0.1 -1,-0.1 -0.369 50.7-106.3-106.2-174.9 -172.3 24.9 -24.0 41 57 A K E -D 71 0C 111 30,-1.9 30,-2.7 -2,-0.1 2,-0.1 -0.970 33.3-123.3-118.3 130.8 -173.9 27.1 -21.3 42 58 A P E -D 70 0C 54 0, 0.0 2,-0.7 0, 0.0 28,-0.3 -0.353 25.4-107.7 -73.2 151.9 -173.5 30.9 -21.3 43 59 A V - 0 0 28 26,-2.7 2,-0.1 23,-0.1 27,-0.0 -0.725 48.9-165.8 -79.4 111.9 -172.0 32.9 -18.4 44 60 A N > - 0 0 79 -2,-0.7 4,-1.2 1,-0.1 5,-0.1 -0.230 40.4-108.6 -89.6 176.5 -175.0 34.6 -16.8 45 61 A E H > S+ 0 0 144 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.806 125.6 59.0 -65.6 -34.4 -175.6 37.4 -14.4 46 62 A E H > S+ 0 0 104 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.877 100.1 54.1 -60.1 -42.0 -176.6 34.5 -12.2 47 63 A T H > S+ 0 0 18 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.923 112.3 43.0 -59.0 -47.4 -173.2 32.9 -12.6 48 64 A L H X S+ 0 0 25 -4,-1.2 4,-1.8 2,-0.2 -2,-0.2 0.882 114.3 51.3 -67.8 -40.4 -171.5 36.1 -11.4 49 65 A K H X S+ 0 0 117 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.945 113.6 43.4 -61.1 -51.5 -174.0 36.5 -8.6 50 66 A R H X S+ 0 0 40 -4,-3.0 4,-1.9 1,-0.2 5,-0.2 0.844 109.4 59.3 -64.1 -34.8 -173.6 32.9 -7.3 51 67 A F H X S+ 0 0 3 -4,-2.1 4,-2.0 -5,-0.3 5,-0.4 0.900 106.0 47.8 -58.8 -42.6 -169.8 33.2 -7.7 52 68 A K H X S+ 0 0 102 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.903 112.9 45.2 -69.0 -44.1 -169.7 36.2 -5.2 53 69 A Q H < S+ 0 0 102 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.836 116.0 47.7 -69.2 -33.2 -171.8 34.6 -2.5 54 70 A V H < S+ 0 0 1 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.874 128.6 21.2 -75.3 -39.5 -170.0 31.3 -2.7 55 71 A T H < S- 0 0 3 -4,-2.0 349,-0.5 2,-0.2 350,-0.3 0.783 88.5-133.1-100.1 -33.9 -166.4 32.7 -2.7 56 72 A G S < S+ 0 0 25 -4,-2.6 2,-0.2 1,-0.4 -4,-0.1 0.244 72.4 114.3 90.2 -10.4 -166.8 36.2 -1.1 57 73 A R S S- 0 0 98 -6,-0.4 -1,-0.4 60,-0.1 -2,-0.2 -0.614 74.3-108.2 -94.7 152.3 -164.7 37.5 -3.9 58 74 A E - 0 0 109 -2,-0.2 3,-0.1 -3,-0.1 -1,-0.1 -0.618 43.7-102.4 -77.3 132.5 -165.6 39.8 -6.8 59 75 A P - 0 0 7 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 -0.284 43.4-100.9 -56.3 138.3 -165.9 38.1 -10.2 60 76 A H >> - 0 0 22 1,-0.1 4,-1.7 3,-0.1 3,-1.6 -0.257 27.9-115.3 -61.4 146.3 -162.8 38.7 -12.5 61 77 A H H 3> S+ 0 0 19 1,-0.3 4,-2.5 2,-0.2 6,-0.3 0.749 114.6 64.9 -59.5 -24.8 -163.2 41.4 -15.2 62 78 A F H 34>S+ 0 0 3 1,-0.2 5,-2.0 2,-0.2 6,-1.9 0.858 107.3 43.2 -61.5 -35.3 -162.9 38.7 -17.9 63 79 A L H <45S+ 0 0 8 -3,-1.6 -2,-0.2 3,-0.2 -1,-0.2 0.882 113.3 49.5 -78.5 -41.6 -166.1 37.2 -16.6 64 80 A R H <5S+ 0 0 75 -4,-1.7 -2,-0.2 1,-0.2 -3,-0.1 0.935 115.7 42.9 -61.3 -47.7 -168.0 40.6 -16.2 65 81 A K T <5S- 0 0 51 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.622 113.8-119.7 -75.0 -14.1 -167.1 41.7 -19.7 66 82 A G T 5S+ 0 0 16 -4,-0.4 -3,-0.2 2,-0.2 -4,-0.1 0.699 72.9 134.2 79.8 21.5 -167.9 38.2 -21.0 67 83 A L S S+ 0 0 53 -2,-0.4 4,-0.9 190,-0.2 190,-0.1 0.738 80.8 140.2 49.7 32.8 -170.3 22.1 -15.2 74 90 A F H > + 0 0 2 1,-0.2 4,-2.0 2,-0.2 3,-0.3 0.832 66.2 64.8 -70.6 -30.9 -169.1 25.3 -13.5 75 91 A T H > S+ 0 0 67 1,-0.2 4,-2.3 2,-0.2 3,-0.2 0.939 99.7 50.4 -51.2 -51.8 -172.1 25.0 -11.2 76 92 A K H > S+ 0 0 52 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.777 107.0 54.1 -64.5 -28.3 -170.7 21.8 -9.7 77 93 A I H X S+ 0 0 0 -4,-0.9 4,-2.0 -3,-0.3 -1,-0.2 0.887 109.2 48.3 -69.2 -40.8 -167.3 23.5 -9.1 78 94 A L H X S+ 0 0 4 -4,-2.0 4,-2.1 -3,-0.2 -2,-0.2 0.867 109.7 53.5 -65.6 -38.6 -169.1 26.2 -7.1 79 95 A D H X S+ 0 0 55 -4,-2.3 4,-1.7 2,-0.2 6,-0.2 0.943 107.9 50.4 -57.3 -50.8 -170.9 23.5 -5.2 80 96 A L H <>S+ 0 0 26 -4,-2.2 5,-2.4 1,-0.2 4,-0.3 0.888 111.0 47.8 -57.5 -43.8 -167.6 21.8 -4.3 81 97 A Y H ><5S+ 0 0 19 -4,-2.0 3,-0.9 1,-0.2 -1,-0.2 0.867 108.3 55.5 -66.3 -36.3 -166.1 25.1 -3.1 82 98 A E H 3<5S+ 0 0 47 -4,-2.1 326,-3.0 1,-0.2 -1,-0.2 0.851 111.2 44.8 -61.6 -34.2 -169.2 25.7 -1.0 83 99 A Q T 3<5S- 0 0 77 -4,-1.7 -1,-0.2 324,-0.3 -2,-0.2 0.396 113.8-115.0 -92.9 0.3 -168.8 22.4 0.7 84 100 A G T < 5 + 0 0 41 -3,-0.9 -3,-0.2 -4,-0.3 -4,-0.1 0.634 67.0 148.9 72.9 15.0 -165.0 22.8 1.3 85 101 A K < - 0 0 111 -5,-2.4 -1,-0.2 -6,-0.2 2,-0.1 -0.462 46.3-105.9 -82.3 152.4 -164.4 19.8 -1.1 86 102 A P + 0 0 51 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.455 42.4 153.7 -84.3 151.4 -161.3 19.6 -3.3 87 103 A F - 0 0 1 -2,-0.1 2,-0.3 146,-0.1 148,-0.2 -0.932 26.9-133.2-156.4 166.1 -160.8 20.1 -7.0 88 104 A F E -f 235 0C 0 146,-1.6 148,-2.5 -2,-0.3 2,-0.4 -0.827 10.5-120.6-125.9 166.9 -157.8 21.2 -9.2 89 105 A L E -fg 236 122C 0 32,-2.9 34,-2.7 -2,-0.3 2,-0.3 -0.849 26.2-178.3-104.9 143.1 -157.0 23.5 -12.0 90 106 A Y E + g 0 123C 0 146,-2.0 2,-0.3 -2,-0.4 34,-0.2 -0.960 13.1 148.1-145.5 123.3 -155.6 22.5 -15.4 91 107 A T E - g 0 124C 1 32,-1.6 34,-1.7 -2,-0.3 2,-0.3 -0.914 21.9-157.7-140.7 168.1 -154.6 24.5 -18.4 92 108 A G E - g 0 125C 7 -2,-0.3 2,-0.3 32,-0.2 34,-0.2 -0.925 12.3-150.7-149.0 172.4 -151.9 23.9 -21.1 93 109 A R E - g 0 126C 14 32,-3.0 34,-1.7 -2,-0.3 35,-0.1 -0.990 14.8-140.9-149.6 131.2 -149.6 25.3 -23.8 94 110 A G - 0 0 1 -2,-0.3 2,-1.6 32,-0.2 34,-0.1 -0.856 20.8-143.3 -96.7 108.6 -148.2 23.9 -27.0 95 111 A P + 0 0 0 0, 0.0 52,-0.2 0, 0.0 51,-0.2 -0.518 42.7 147.6 -78.1 87.3 -144.6 25.1 -27.4 96 112 A S S S+ 0 0 44 -2,-1.6 2,-0.3 50,-0.1 47,-0.1 0.310 72.5 11.3-102.9 5.6 -144.3 25.7 -31.1 97 113 A S S S- 0 0 35 46,-0.1 53,-0.1 -3,-0.1 3,-0.0 -0.929 83.2-102.9-164.4 176.2 -141.8 28.6 -30.8 98 114 A D S S+ 0 0 97 -2,-0.3 2,-0.4 1,-0.1 45,-0.0 0.654 98.3 53.4 -88.9 -15.5 -139.7 30.1 -28.0 99 115 A S S S- 0 0 9 54,-0.0 -1,-0.1 51,-0.0 2,-0.1 -0.975 70.2-144.4-125.8 127.0 -141.8 33.2 -27.2 100 116 A M - 0 0 0 -2,-0.4 191,-2.4 1,-0.1 192,-0.2 -0.380 20.6-133.1 -73.8 157.2 -145.5 33.4 -26.4 101 117 A H B >> -J 290 0D 4 189,-0.3 3,-1.0 190,-0.1 4,-0.7 -0.617 30.0 -90.5-108.9 174.7 -147.6 36.3 -27.6 102 118 A L G >4 S+ 0 0 0 187,-2.5 3,-1.0 1,-0.3 4,-0.5 0.839 121.2 57.1 -51.1 -43.9 -150.1 38.6 -25.9 103 119 A G G >4 S+ 0 0 12 1,-0.3 3,-1.0 186,-0.2 -1,-0.3 0.825 98.7 59.3 -59.5 -36.3 -153.1 36.3 -26.8 104 120 A H G <> S+ 0 0 42 -3,-1.0 4,-0.7 1,-0.2 -1,-0.3 0.762 96.1 65.5 -63.4 -26.0 -151.6 33.3 -25.0 105 121 A M H S+ 0 0 5 -3,-1.0 4,-2.2 -4,-0.5 5,-0.2 0.938 96.9 39.7 -52.9 -60.6 -155.3 35.5 -21.4 107 123 A P H > S+ 0 0 18 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.831 117.8 51.2 -60.9 -29.7 -156.1 32.0 -20.1 108 124 A F H X S+ 0 0 3 -4,-0.7 4,-2.3 2,-0.2 -2,-0.2 0.874 108.3 49.7 -73.9 -37.9 -152.9 32.2 -17.9 109 125 A V H X S+ 0 0 32 -4,-3.1 4,-1.3 2,-0.2 -1,-0.2 0.885 115.5 45.5 -64.1 -39.2 -153.9 35.6 -16.4 110 126 A F H X S+ 0 0 0 -4,-2.2 4,-2.8 -5,-0.3 -2,-0.2 0.908 110.8 51.9 -69.3 -44.4 -157.3 34.1 -15.6 111 127 A T H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.888 105.6 55.9 -60.9 -41.4 -155.9 30.8 -14.2 112 128 A K H X S+ 0 0 64 -4,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.916 111.8 43.6 -55.1 -45.5 -153.6 32.8 -11.9 113 129 A W H X S+ 0 0 32 -4,-1.3 4,-2.8 2,-0.2 5,-0.2 0.931 111.1 52.5 -67.1 -49.7 -156.7 34.5 -10.5 114 130 A L H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 5,-0.2 0.859 107.3 56.1 -53.4 -38.4 -158.9 31.4 -10.3 115 131 A Q H X>S+ 0 0 12 -4,-2.4 4,-1.5 -5,-0.2 5,-0.8 0.910 111.8 39.4 -62.8 -46.3 -156.0 29.8 -8.3 116 132 A E H <5S+ 0 0 66 -4,-1.5 -2,-0.2 2,-0.2 -1,-0.2 0.864 115.5 52.2 -74.6 -34.3 -155.9 32.5 -5.6 117 133 A V H <5S+ 0 0 4 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.885 123.8 28.3 -65.2 -39.0 -159.7 32.9 -5.5 118 134 A F H <5S- 0 0 4 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.551 94.7-137.7-100.1 -12.3 -160.3 29.1 -5.0 119 135 A D T <5 + 0 0 24 -4,-1.5 280,-1.3 -5,-0.2 -3,-0.2 0.925 53.6 143.3 51.2 53.0 -156.9 28.2 -3.2 120 136 A V < - 0 0 5 -5,-0.8 -1,-0.2 -6,-0.2 -32,-0.1 -0.776 54.0 -97.4-119.3 160.9 -156.5 25.0 -5.3 121 137 A P - 0 0 0 0, 0.0 -32,-2.9 0, 0.0 2,-0.4 -0.426 36.8-146.7 -78.2 158.3 -153.6 23.2 -6.9 122 138 A L E -gh 89 164C 0 41,-2.1 43,-2.8 -34,-0.2 2,-0.5 -0.985 12.9-165.9-134.2 130.6 -152.7 23.7 -10.6 123 139 A V E -gh 90 165C 0 -34,-2.7 -32,-1.6 -2,-0.4 2,-0.5 -0.961 7.8-166.8-112.6 131.4 -151.2 21.5 -13.3 124 140 A I E -gh 91 166C 0 41,-3.1 43,-2.7 -2,-0.5 2,-0.5 -0.973 9.1-152.3-120.7 118.3 -149.9 23.1 -16.5 125 141 A E E -gh 92 167C 0 -34,-1.7 -32,-3.0 -2,-0.5 2,-0.7 -0.780 6.3-160.0 -96.2 126.6 -149.2 20.8 -19.5 126 142 A L E -gh 93 168C 0 41,-2.9 43,-2.4 -2,-0.5 2,-1.9 -0.907 11.8-154.6-102.0 108.0 -146.6 21.7 -22.1 127 143 A T > + 0 0 0 -34,-1.7 4,-1.9 -2,-0.7 5,-0.1 -0.394 36.7 148.7 -88.1 63.6 -147.5 19.6 -25.2 128 144 A D H > S+ 0 0 0 -2,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.895 72.3 54.7 -61.9 -42.7 -144.1 19.3 -26.8 129 145 A D H > S+ 0 0 0 -3,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.896 106.7 52.1 -57.6 -42.2 -144.8 15.9 -28.2 130 146 A E H > S+ 0 0 2 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.936 109.8 48.6 -57.5 -48.6 -148.0 17.2 -29.9 131 147 A K H X S+ 0 0 24 -4,-1.9 4,-1.5 1,-0.2 7,-0.2 0.864 110.6 50.3 -64.9 -37.5 -146.0 20.0 -31.5 132 148 A F H < S+ 0 0 4 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.911 113.6 47.6 -60.8 -43.3 -143.4 17.6 -32.7 133 149 A L H < S+ 0 0 11 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.840 116.8 40.6 -66.8 -37.0 -146.2 15.5 -34.2 134 150 A F H < S+ 0 0 36 -4,-2.3 2,-0.5 1,-0.2 -1,-0.2 0.605 112.0 54.1 -94.1 -14.0 -148.1 18.4 -35.9 135 151 A K >< - 0 0 104 -4,-1.5 3,-1.2 -5,-0.2 -1,-0.2 -0.845 63.3-167.7-126.6 94.8 -145.1 20.3 -37.3 136 152 A H T 3 S+ 0 0 134 -2,-0.5 -1,-0.1 1,-0.3 -4,-0.1 0.674 84.3 63.9 -52.7 -23.9 -142.9 18.1 -39.4 137 153 A K T 3 S+ 0 0 156 -3,-0.1 -1,-0.3 2,-0.1 -5,-0.1 0.894 87.2 81.8 -70.4 -43.4 -140.2 20.8 -39.4 138 154 A L < - 0 0 27 -3,-1.2 2,-0.2 -7,-0.2 -3,-0.1 -0.252 67.1-147.0 -69.5 150.7 -139.5 20.7 -35.7 139 155 A T > - 0 0 64 1,-0.1 4,-2.1 -2,-0.0 5,-0.2 -0.604 31.4-100.5-110.0 172.4 -137.2 18.2 -34.0 140 156 A I H > S+ 0 0 2 1,-0.2 4,-1.6 -2,-0.2 5,-0.1 0.872 125.8 48.8 -61.9 -37.7 -137.3 16.5 -30.5 141 157 A N H > S+ 0 0 102 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.938 107.2 56.0 -63.4 -48.7 -134.6 19.0 -29.4 142 158 A D H > S+ 0 0 58 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.915 111.7 41.2 -47.9 -53.7 -136.6 22.0 -30.8 143 159 A V H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.801 111.9 54.5 -72.9 -30.9 -139.7 21.2 -28.8 144 160 A K H X S+ 0 0 76 -4,-1.6 4,-1.3 -5,-0.2 -1,-0.2 0.870 112.5 44.9 -67.5 -38.1 -137.8 20.3 -25.6 145 161 A N H X S+ 0 0 101 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.926 111.9 51.0 -68.2 -48.6 -136.1 23.7 -25.7 146 162 A F H X S+ 0 0 32 -4,-2.5 4,-3.1 -5,-0.2 5,-0.3 0.886 106.1 58.2 -54.4 -42.3 -139.3 25.5 -26.5 147 163 A A H X S+ 0 0 1 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.903 107.4 44.7 -56.2 -47.0 -140.9 23.8 -23.6 148 164 A R H X S+ 0 0 62 -4,-1.3 4,-1.4 2,-0.2 -1,-0.2 0.869 115.4 47.9 -67.7 -37.5 -138.4 25.2 -21.1 149 165 A E H X S+ 0 0 68 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.900 113.2 46.9 -69.7 -42.0 -138.6 28.7 -22.6 150 166 A N H X S+ 0 0 0 -4,-3.1 4,-2.5 1,-0.2 -2,-0.2 0.821 106.4 59.5 -68.5 -32.2 -142.4 28.7 -22.6 151 167 A A H X S+ 0 0 0 -4,-1.9 4,-2.5 -5,-0.3 -1,-0.2 0.889 104.9 50.0 -60.4 -40.2 -142.3 27.4 -19.0 152 168 A K H X S+ 0 0 34 -4,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.908 108.4 52.1 -63.5 -44.7 -140.3 30.5 -18.1 153 169 A D H < S+ 0 0 1 -4,-1.7 4,-0.5 2,-0.2 -2,-0.2 0.923 111.5 47.4 -54.8 -47.1 -143.0 32.7 -19.8 154 170 A I H >< S+ 0 0 0 -4,-2.5 3,-1.3 1,-0.2 5,-0.5 0.913 110.0 51.2 -63.8 -44.1 -145.7 30.9 -17.8 155 171 A I H >X S+ 0 0 12 -4,-2.5 3,-1.9 1,-0.3 4,-0.6 0.885 101.4 63.8 -58.6 -38.6 -143.8 31.4 -14.5 156 172 A A T 3< S+ 0 0 1 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.633 84.1 73.9 -64.8 -16.6 -143.4 35.1 -15.3 157 173 A V T <4 S- 0 0 9 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.2 0.824 123.7 -99.3 -63.1 -31.5 -147.2 35.5 -15.1 158 174 A G T <4 + 0 0 31 -3,-1.9 -2,-0.2 -4,-0.5 -3,-0.1 0.642 65.3 157.8 122.9 26.2 -146.6 35.2 -11.4 159 175 A F < - 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0 0 2 -4,-0.5 -393,-2.9 -3,-0.3 -392,-0.3 -0.946 68.2-151.9-117.2 119.9 -174.3 45.5 -60.5 1409 205 D T B > -H 1014 0Q 44 -2,-0.5 4,-2.3 -395,-0.3 -395,-0.3 -0.442 27.7-115.2 -85.1 158.3 -175.7 46.4 -57.1 1410 206 D G H > S+ 0 0 0 -397,-2.2 4,-2.2 -399,-0.4 -398,-0.2 0.869 118.9 58.5 -55.4 -39.3 -173.8 46.5 -53.8 1411 207 D S H > S+ 0 0 52 -400,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.899 107.3 46.4 -54.4 -46.7 -176.0 43.6 -52.7 1412 208 D T H > S+ 0 0 28 -401,-0.3 4,-2.9 -3,-0.2 5,-0.4 0.924 110.1 51.8 -64.1 -48.4 -174.8 41.5 -55.6 1413 209 D A H X S+ 0 0 1 -4,-2.3 4,-2.0 1,-0.2 6,-0.8 0.865 114.5 44.6 -58.1 -38.2 -171.1 42.4 -55.1 1414 210 D K H X S+ 0 0 10 -4,-2.2 4,-1.5 4,-0.2 -2,-0.2 0.914 114.9 47.2 -70.8 -45.7 -171.5 41.3 -51.4 1415 211 D A H < S+ 0 0 14 -4,-2.5 -1411,-0.4 -5,-0.2 -1410,-0.4 0.883 122.7 33.9 -64.1 -40.2 -173.5 38.1 -52.2 1416 212 D V H < S+ 0 0 7 -4,-2.9 -1412,-0.2 -1413,-0.2 -2,-0.2 0.896 131.8 25.8 -86.3 -43.9 -171.1 37.0 -55.0 1417 213 D F H < S- 0 0 14 -4,-2.0 -3,-0.2 -5,-0.4 -2,-0.2 0.467 97.9-121.7-105.2 -4.3 -167.7 38.2 -53.8 1418 214 D G < + 0 0 9 -4,-1.5 -1393,-2.2 -5,-0.2 -4,-0.2 0.612 53.9 159.1 75.2 13.7 -168.3 38.2 -50.0 1419 215 D F - 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