==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 06-AUG-12 4GGH . COMPND 2 MOLECULE: PUTATIVE UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO HARVEYI; . AUTHOR M.W.VETTING,R.TORO,R.BHOSLE,N.F.AL OBAIDI,L.L.MORISCO,S.R.WA . 1588 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 54395.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1078 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 137 8.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 99 6.2 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 . 7 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.3 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 . 91 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 157 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 469 29.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 36 2.3 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 19 4 0 0 1 7 4 0 8 4 0 0 0 0 4 0 1 3 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 19 9 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 PARALLEL BRIDGES PER LADDER . 12 4 0 1 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 11 0 0 0 0 0 3 0 1 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 3 A K 0 0 180 0, 0.0 2,-0.5 0, 0.0 60,-0.1 0.000 360.0 360.0 360.0 152.3 -60.5 -9.9 -24.5 2 4 A N - 0 0 8 25,-0.0 60,-3.1 26,-0.0 61,-0.2 -0.812 360.0-149.4-126.4 93.2 -57.5 -7.9 -25.7 3 5 A T B -A 61 0A 13 -2,-0.5 24,-2.6 58,-0.2 2,-0.3 -0.364 15.3-121.5 -71.2 130.0 -58.5 -5.9 -28.8 4 6 A I E +B 26 0B 1 56,-3.0 55,-2.4 53,-0.3 22,-0.3 -0.557 30.6 178.7 -68.4 127.9 -55.8 -5.2 -31.4 5 7 A S E + 0 0 52 20,-3.0 2,-0.3 1,-0.3 21,-0.2 0.654 60.0 6.3-108.3 -22.5 -55.5 -1.4 -31.8 6 8 A N E -B 25 0B 34 19,-1.6 19,-1.9 51,-0.1 2,-0.4 -0.992 49.5-157.9-156.9 156.7 -52.8 -1.1 -34.4 7 9 A I E +B 24 0B 1 -2,-0.3 2,-0.3 17,-0.2 17,-0.2 -0.986 19.9 178.3-134.6 125.8 -50.6 -3.1 -36.8 8 10 A E E -B 23 0B 55 15,-2.6 15,-3.0 -2,-0.4 2,-0.4 -0.951 14.9-159.5-128.5 151.3 -47.3 -1.6 -38.1 9 11 A C E -B 22 0B 4 -2,-0.3 2,-0.4 13,-0.2 13,-0.2 -0.991 11.2-172.7-130.7 124.2 -44.6 -3.0 -40.4 10 12 A V E -B 21 0B 36 11,-2.6 11,-2.7 -2,-0.4 2,-0.5 -0.963 11.4-157.5-119.7 130.7 -41.1 -1.6 -40.4 11 13 A I E +B 20 0B 17 -2,-0.4 366,-0.4 9,-0.2 2,-0.4 -0.921 21.1 175.4-100.9 128.9 -38.2 -2.4 -42.8 12 14 A T E -B 19 0B 0 7,-2.6 7,-3.2 -2,-0.5 3,-0.1 -0.999 23.3-167.6-136.0 140.0 -34.8 -1.7 -41.4 13 15 A K + 0 0 33 362,-2.5 5,-0.2 -2,-0.4 327,-0.0 -0.643 20.8 159.7-121.4 72.7 -31.3 -2.3 -42.8 14 16 A P S S- 0 0 4 0, 0.0 -1,-0.1 0, 0.0 325,-0.1 0.854 77.3 -9.9 -64.5 -31.0 -28.9 -1.7 -39.9 15 17 A D S S- 0 0 39 2,-0.5 -2,-0.0 -3,-0.1 323,-0.0 0.093 121.8 -25.3-131.3-115.0 -26.2 -3.7 -41.6 16 18 A R S S+ 0 0 144 1,-0.1 2,-0.4 -2,-0.0 293,-0.1 0.726 112.7 57.4 -83.0 -22.7 -26.1 -6.0 -44.7 17 19 A H S S- 0 0 24 291,-0.1 2,-0.9 293,-0.1 -2,-0.5 -0.886 76.7-120.3-123.9 140.7 -29.7 -7.1 -44.9 18 20 A N - 0 0 3 -2,-0.4 2,-0.3 21,-0.2 -5,-0.2 -0.653 39.5-165.9 -70.5 106.7 -33.2 -5.6 -45.1 19 21 A L E -B 12 0B 6 -7,-3.2 -7,-2.6 -2,-0.9 2,-0.5 -0.690 6.1-149.0 -97.9 152.5 -34.9 -6.9 -42.0 20 22 A I E -B 11 0B 0 -2,-0.3 16,-2.5 -9,-0.2 17,-0.4 -0.974 12.8-176.1-130.8 123.6 -38.7 -6.7 -41.4 21 23 A T E -BC 10 35B 0 -11,-2.7 -11,-2.6 -2,-0.5 2,-0.4 -0.922 11.5-154.3-117.4 140.1 -40.5 -6.3 -38.1 22 24 A V E -BC 9 34B 0 12,-2.4 12,-2.1 -2,-0.4 2,-0.5 -0.934 10.8-160.9-110.5 137.1 -44.2 -6.4 -37.4 23 25 A I E -BC 8 33B 0 -15,-3.0 -15,-2.6 -2,-0.4 2,-0.5 -0.975 3.0-166.1-122.5 124.6 -45.5 -4.5 -34.4 24 26 A V E -BC 7 32B 0 8,-2.1 8,-3.0 -2,-0.5 2,-0.4 -0.949 3.3-165.3-112.2 124.6 -48.9 -5.2 -32.9 25 27 A E E -BC 6 31B 52 -19,-1.9 -20,-3.0 -2,-0.5 -19,-1.6 -0.850 8.7-164.6-105.5 145.9 -50.5 -2.8 -30.3 26 28 A T E > -B 4 0B 6 4,-0.6 3,-2.2 -2,-0.4 -22,-0.2 -0.860 35.3-109.1-130.1 162.5 -53.4 -3.8 -28.2 27 29 A E T 3 S+ 0 0 133 -24,-2.6 -23,-0.1 1,-0.3 -25,-0.0 0.679 115.9 66.0 -65.5 -17.8 -56.0 -2.0 -26.0 28 30 A S T 3 S- 0 0 63 -25,-0.2 -1,-0.3 2,-0.2 3,-0.1 0.617 114.3-118.0 -73.4 -12.8 -54.3 -3.4 -22.9 29 31 A G S < S+ 0 0 61 -3,-2.2 2,-0.5 1,-0.3 -2,-0.1 0.467 73.1 134.0 84.0 2.8 -51.3 -1.2 -23.8 30 32 A V - 0 0 36 -5,-0.0 -4,-0.6 68,-0.0 2,-0.4 -0.769 43.1-153.1 -88.4 126.0 -49.2 -4.4 -24.3 31 33 A T E -C 25 0B 32 -2,-0.5 2,-0.3 -6,-0.2 -6,-0.2 -0.834 6.1-159.1-107.5 136.2 -47.1 -4.3 -27.5 32 34 A G E -C 24 0B 0 -8,-3.0 -8,-2.1 -2,-0.4 2,-0.4 -0.786 0.9-160.4-111.2 154.4 -45.9 -7.3 -29.5 33 35 A Y E +C 23 0B 12 -2,-0.3 2,-0.3 60,-0.3 -10,-0.2 -0.980 13.7 173.8-132.7 141.8 -43.0 -7.6 -32.0 34 36 A G E -C 22 0B 0 -12,-2.1 -12,-2.4 -2,-0.4 2,-0.5 -0.955 30.6-109.3-146.0 165.1 -42.5 -10.3 -34.7 35 37 A C E +C 21 0B 0 -2,-0.3 -14,-0.2 54,-0.3 58,-0.2 -0.848 32.6 161.3-101.7 130.2 -40.3 -11.2 -37.6 36 38 A A + 0 0 0 -16,-2.5 2,-0.7 -2,-0.5 -15,-0.2 -0.068 24.5 159.8-127.9 27.7 -41.6 -11.1 -41.2 37 39 A T + 0 0 2 -17,-0.4 2,-0.5 49,-0.1 243,-0.1 -0.444 14.6 152.9 -74.0 106.6 -38.2 -11.0 -42.8 38 40 A F > - 0 0 32 -2,-0.7 3,-1.6 1,-0.1 7,-0.2 -0.894 26.6-169.1-119.2 89.9 -38.2 -12.1 -46.5 39 41 A Q T 3 S+ 0 0 9 -2,-0.5 -21,-0.2 270,-0.3 -1,-0.1 0.763 74.5 59.1 -63.9 -27.4 -35.1 -10.0 -47.3 40 42 A Q T 3 S+ 0 0 46 1,-0.2 -1,-0.3 2,-0.1 340,-0.1 0.673 120.3 23.8 -75.9 -18.3 -35.3 -10.3 -51.1 41 43 A R S X> S+ 0 0 144 -3,-1.6 4,-1.5 -23,-0.1 3,-0.7 -0.292 70.9 149.8-140.5 52.7 -38.8 -8.7 -51.4 42 44 A P H 3> S+ 0 0 14 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.867 71.2 56.2 -66.5 -36.2 -39.3 -6.5 -48.3 43 45 A L H 3> S+ 0 0 108 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.830 105.5 54.2 -61.2 -31.8 -41.6 -3.9 -49.9 44 46 A A H <> S+ 0 0 41 -3,-0.7 4,-2.2 2,-0.2 -1,-0.2 0.911 109.0 46.8 -67.6 -43.4 -44.0 -6.7 -50.9 45 47 A V H X S+ 0 0 0 -4,-1.5 4,-2.1 -7,-0.2 -2,-0.2 0.916 112.8 50.0 -63.5 -41.7 -44.2 -8.0 -47.3 46 48 A K H X S+ 0 0 67 -4,-2.4 4,-3.1 2,-0.2 5,-0.3 0.940 109.9 50.1 -64.2 -45.2 -44.8 -4.4 -46.1 47 49 A T H X S+ 0 0 75 -4,-2.5 4,-2.6 1,-0.2 5,-0.5 0.926 109.1 53.5 -54.8 -46.1 -47.5 -3.8 -48.6 48 50 A M H X>S+ 0 0 46 -4,-2.2 5,-2.1 1,-0.2 4,-1.0 0.887 115.5 38.9 -58.4 -41.0 -49.1 -7.1 -47.5 49 51 A V H <>S+ 0 0 0 -4,-2.1 5,-2.4 3,-0.2 -2,-0.2 0.953 120.9 41.3 -75.8 -50.9 -49.2 -6.0 -43.9 50 52 A D H <5S+ 0 0 50 -4,-3.1 -2,-0.2 1,-0.2 -3,-0.2 0.900 124.1 34.4 -64.5 -46.1 -50.1 -2.3 -44.3 51 53 A E H <5S+ 0 0 124 -4,-2.6 -1,-0.2 -5,-0.3 -3,-0.2 0.737 134.9 12.1 -87.5 -22.6 -52.7 -2.7 -47.0 52 54 A Y T X5S+ 0 0 145 -4,-1.0 4,-1.4 -5,-0.5 -3,-0.2 0.758 122.7 43.9-124.6 -57.7 -54.3 -6.0 -46.1 53 55 A L H >< S+ 0 0 0 -4,-2.4 3,-2.1 -3,-0.2 -53,-0.3 0.757 85.1 102.7 -92.4 -26.6 -56.9 -7.3 -37.8 58 60 A I T 3< S+ 0 0 68 -4,-2.1 -53,-0.2 1,-0.3 3,-0.1 -0.398 89.3 23.7 -63.9 127.4 -57.7 -4.1 -36.1 59 61 A G T 3 S+ 0 0 48 -55,-2.4 -1,-0.3 1,-0.4 2,-0.1 0.177 97.4 116.1 105.3 -17.0 -60.6 -4.6 -33.7 60 62 A K S < S- 0 0 83 -3,-2.1 -56,-3.0 -56,-0.1 2,-0.7 -0.384 75.1 -95.1 -88.5 164.5 -60.1 -8.4 -33.2 61 63 A D B > -A 3 0A 42 -58,-0.2 3,-1.1 1,-0.2 -58,-0.2 -0.682 25.6-161.0 -85.0 112.1 -59.2 -10.3 -30.0 62 64 A A T 3 S+ 0 0 3 -60,-3.1 3,-0.2 -2,-0.7 -1,-0.2 0.681 82.5 73.7 -65.4 -19.4 -55.4 -10.8 -29.8 63 65 A N T 3 S+ 0 0 35 1,-0.2 2,-1.8 -61,-0.2 3,-0.3 0.856 83.3 69.3 -60.5 -36.1 -55.9 -13.6 -27.2 64 66 A N <> + 0 0 27 -3,-1.1 4,-2.4 1,-0.2 -1,-0.2 -0.427 56.5 157.8 -89.9 67.5 -57.1 -16.1 -29.8 65 67 A I H > S+ 0 0 0 -2,-1.8 4,-2.9 843,-0.7 -1,-0.2 0.895 70.3 55.8 -56.8 -42.5 -53.9 -16.6 -31.8 66 68 A E H > S+ 0 0 5 842,-1.8 4,-2.5 -3,-0.3 -1,-0.2 0.923 110.5 42.5 -61.9 -47.6 -55.0 -19.9 -33.2 67 69 A D H > S+ 0 0 74 843,-1.4 4,-3.1 841,-0.2 5,-0.2 0.927 114.2 52.5 -62.0 -43.9 -58.2 -18.6 -34.7 68 70 A L H X S+ 0 0 4 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.897 110.9 47.6 -61.8 -37.9 -56.4 -15.5 -36.0 69 71 A W H X S+ 0 0 26 -4,-2.9 4,-2.4 -5,-0.2 -1,-0.2 0.946 114.4 45.0 -67.3 -45.3 -53.7 -17.7 -37.6 70 72 A Q H X S+ 0 0 28 -4,-2.5 4,-1.1 1,-0.2 -2,-0.2 0.901 117.0 46.5 -66.0 -39.5 -56.3 -20.0 -39.3 71 73 A M H < S+ 0 0 40 -4,-3.1 4,-0.5 -5,-0.2 3,-0.2 0.918 113.8 47.4 -65.6 -46.7 -58.4 -17.0 -40.4 72 74 A M H >< S+ 0 0 4 -4,-2.6 3,-1.1 -5,-0.2 4,-0.4 0.891 105.3 59.4 -62.7 -42.3 -55.3 -15.1 -41.7 73 75 A M H 3< S+ 0 0 17 -4,-2.4 7,-0.3 1,-0.3 3,-0.3 0.860 116.4 31.8 -60.0 -37.6 -53.9 -18.1 -43.6 74 76 A V T >< S+ 0 0 75 -4,-1.1 3,-2.0 -3,-0.2 -1,-0.3 0.371 89.8 103.6 -98.8 4.2 -57.1 -18.4 -45.8 75 77 A N T < S+ 0 0 85 -3,-1.1 -1,-0.2 -4,-0.5 -2,-0.1 0.745 83.4 44.0 -66.5 -26.8 -58.1 -14.8 -45.9 76 78 A A T 3 S- 0 0 60 -4,-0.4 2,-2.2 2,-0.3 -1,-0.3 0.301 103.1-132.2 -94.9 10.2 -56.9 -14.1 -49.5 77 79 A Y S < S+ 0 0 160 -3,-2.0 -1,-0.2 0, 0.0 2,-0.1 -0.525 92.9 68.7 67.9 -74.2 -58.4 -17.4 -50.6 78 80 A W S S+ 0 0 203 -2,-2.2 -2,-0.3 -3,-0.1 2,-0.2 -0.443 79.3 164.8 -65.2 149.6 -55.2 -18.3 -52.5 79 81 A R + 0 0 129 -2,-0.1 -5,-0.1 -4,-0.1 -6,-0.1 -0.803 19.3 61.8-157.9-172.9 -52.5 -18.9 -49.9 80 82 A N + 0 0 40 -7,-0.3 4,-0.4 -2,-0.2 179,-0.2 -0.099 59.0 104.9 62.1-173.8 -49.2 -20.3 -48.8 81 83 A G S > S- 0 0 18 177,-1.9 4,-1.9 1,-0.1 5,-0.2 0.036 81.0 -74.8 87.1 162.4 -46.0 -18.8 -50.3 82 84 A P H > S+ 0 0 42 0, 0.0 4,-1.6 0, 0.0 5,-0.2 0.802 118.9 49.8 -72.3 -33.9 -43.3 -16.4 -49.0 83 85 A V H > S+ 0 0 39 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.963 117.4 37.2 -75.1 -50.3 -45.1 -13.0 -49.2 84 86 A I H > S+ 0 0 32 -4,-0.4 4,-2.5 1,-0.2 5,-0.2 0.932 116.9 52.8 -62.3 -46.2 -48.3 -13.9 -47.4 85 87 A N H X S+ 0 0 2 -4,-1.9 4,-2.7 1,-0.2 -1,-0.2 0.869 108.5 48.1 -63.0 -38.1 -46.6 -16.3 -44.9 86 88 A N H X S+ 0 0 0 -4,-1.6 4,-2.4 2,-0.2 -1,-0.2 0.918 111.5 50.9 -67.9 -40.8 -44.0 -13.8 -43.7 87 89 A A H X S+ 0 0 0 -4,-1.7 4,-1.5 -5,-0.2 -2,-0.2 0.925 113.8 44.3 -60.9 -44.5 -46.6 -11.1 -43.2 88 90 A I H X S+ 0 0 0 -4,-2.5 4,-3.4 1,-0.2 -2,-0.2 0.904 110.2 56.3 -67.4 -40.0 -48.7 -13.6 -41.2 89 91 A S H X S+ 0 0 0 -4,-2.7 4,-3.0 191,-0.4 5,-0.3 0.903 102.7 55.7 -56.2 -43.8 -45.6 -14.7 -39.3 90 92 A G H X S+ 0 0 0 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.937 113.9 39.4 -55.3 -49.0 -44.9 -11.1 -38.2 91 93 A V H X S+ 0 0 0 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.933 114.5 53.7 -65.1 -48.2 -48.4 -10.8 -36.7 92 94 A D H X S+ 0 0 0 -4,-3.4 4,-2.1 1,-0.2 -2,-0.2 0.918 110.7 45.4 -56.2 -48.9 -48.3 -14.4 -35.3 93 95 A M H X S+ 0 0 3 -4,-3.0 4,-2.3 1,-0.2 -60,-0.3 0.906 112.4 51.4 -61.3 -42.5 -45.0 -13.9 -33.4 94 96 A A H X S+ 0 0 0 -4,-1.7 4,-2.3 -5,-0.3 -1,-0.2 0.863 108.5 52.3 -63.8 -34.4 -46.1 -10.5 -32.1 95 97 A L H X S+ 0 0 1 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.897 110.6 46.3 -69.3 -41.8 -49.3 -12.0 -30.8 96 98 A W H X S+ 0 0 6 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.863 110.1 56.1 -63.4 -37.3 -47.4 -14.8 -28.9 97 99 A D H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.928 108.8 46.0 -59.8 -46.6 -45.1 -12.0 -27.7 98 100 A I H X S+ 0 0 3 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.911 111.5 51.6 -62.2 -43.3 -48.1 -10.2 -26.2 99 101 A K H X S+ 0 0 3 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.923 111.3 47.1 -62.1 -44.9 -49.5 -13.4 -24.7 100 102 A A H X>S+ 0 0 0 -4,-2.6 5,-2.6 2,-0.2 4,-0.6 0.900 112.6 49.8 -63.2 -41.3 -46.2 -14.1 -23.0 101 103 A K H ><5S+ 0 0 41 -4,-2.2 3,-0.7 260,-0.2 -2,-0.2 0.925 111.9 47.4 -62.3 -44.8 -46.0 -10.6 -21.7 102 104 A I H 3<5S+ 0 0 72 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.870 113.7 47.8 -65.9 -33.9 -49.5 -10.7 -20.3 103 105 A A H 3<5S- 0 0 4 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.584 109.1-131.2 -76.9 -12.5 -48.7 -14.0 -18.7 104 106 A N T <<5 + 0 0 130 -3,-0.7 -3,-0.2 -4,-0.6 -2,-0.1 0.929 66.9 118.7 57.9 49.8 -45.5 -12.5 -17.4 105 107 A M S > -d 362 0C 14 0, 0.0 3,-1.3 0, 0.0 4,-1.1 -0.482 46.6-109.6 -64.8 146.6 -40.7 -16.1 -21.2 107 109 A L H >> S+ 0 0 0 255,-2.1 4,-1.3 1,-0.3 3,-0.7 0.864 116.5 55.3 -47.7 -45.8 -42.2 -17.3 -24.4 108 110 A H H 3>>S+ 0 0 0 250,-0.3 5,-2.2 1,-0.3 4,-0.6 0.793 101.2 59.6 -66.7 -23.1 -40.9 -20.9 -24.0 109 111 A Q H X45S+ 0 0 11 -3,-1.3 3,-0.8 1,-0.2 -1,-0.3 0.858 100.2 55.7 -71.8 -34.0 -42.6 -21.2 -20.6 110 112 A L H <<5S+ 0 0 2 -4,-1.1 -1,-0.2 -3,-0.7 -2,-0.2 0.884 101.9 58.6 -56.6 -42.0 -46.0 -20.5 -22.3 111 113 A F H 3<5S- 0 0 17 -4,-1.3 -1,-0.2 1,-0.1 -2,-0.2 0.705 137.3 -81.3 -63.1 -23.6 -45.3 -23.5 -24.5 112 114 A G T <<5S- 0 0 0 -3,-0.8 750,-1.8 -4,-0.6 749,-0.8 0.345 74.3 -90.0 128.1 2.3 -44.9 -25.8 -21.5 113 115 A G < - 0 0 0 -5,-2.2 747,-0.2 747,-0.2 2,-0.1 -0.326 63.8 -26.3 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-2,-0.2 5,-0.3 0.904 122.2 64.0 -67.7 -43.6 -51.2 -81.1 -34.7 684 288 B T H > S+ 0 0 2 -3,-0.3 4,-1.2 1,-0.2 -1,-0.2 0.926 112.0 33.5 -51.2 -52.6 -47.7 -79.6 -34.5 685 289 B P H > S+ 0 0 10 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.781 112.4 62.9 -77.8 -21.4 -48.1 -77.3 -37.5 686 290 B A H X S+ 0 0 0 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.871 102.3 50.6 -65.6 -40.0 -51.9 -76.7 -36.8 687 291 B L H X S+ 0 0 18 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.919 112.4 46.9 -59.7 -45.3 -51.1 -75.1 -33.5 688 292 B K H X S+ 0 0 24 -4,-1.2 4,-2.3 -5,-0.3 -2,-0.2 0.906 113.5 47.3 -64.6 -41.9 -48.6 -72.8 -35.1 689 293 B L H X S+ 0 0 5 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.878 109.4 54.6 -69.6 -36.1 -50.9 -71.9 -38.0 690 294 B G H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.932 111.7 44.4 -60.0 -45.2 -53.7 -71.3 -35.5 691 295 B H H X S+ 0 0 15 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.850 111.5 53.3 -66.9 -37.0 -51.4 -68.8 -33.6 692 296 B F H X S+ 0 0 3 -4,-2.3 4,-1.0 1,-0.2 3,-0.3 0.932 110.6 47.0 -65.2 -44.8 -50.3 -67.2 -36.9 693 297 B C H 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0.867 111.4 52.4 -63.8 -38.0 -58.9 -86.8 -36.8 713 317 B A H X S+ 0 0 10 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.913 109.7 49.1 -65.3 -42.3 -62.3 -85.4 -36.0 714 318 B A H X S+ 0 0 14 -4,-2.2 4,-2.2 2,-0.2 42,-0.2 0.895 109.2 52.6 -62.4 -43.2 -61.6 -85.7 -32.3 715 319 B V H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.916 108.3 50.9 -57.7 -44.9 -58.2 -84.0 -32.7 716 320 B N H X S+ 0 0 1 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.854 107.9 52.7 -62.9 -32.9 -59.9 -81.1 -34.5 717 321 B T H X S+ 0 0 7 -4,-1.7 4,-1.8 2,-0.2 5,-0.2 0.913 108.2 50.6 -70.7 -38.8 -62.3 -80.8 -31.6 718 322 B H H X S+ 0 0 0 -4,-2.2 4,-1.2 1,-0.2 3,-0.3 0.943 113.6 45.1 -60.4 -47.9 -59.4 -80.6 -29.1 719 323 B L H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.873 111.6 55.5 -61.7 -35.2 -57.8 -77.9 -31.2 720 324 B N H < S+ 0 0 0 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.797 108.7 43.5 -72.3 -31.7 -61.2 -76.1 -31.6 721 325 B V H < S+ 0 0 0 -4,-1.8 -208,-3.5 -3,-0.3 -207,-1.0 0.659 121.0 43.8 -86.9 -16.3 -61.9 -75.8 -27.9 722 326 B H H < S+ 0 0 6 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29.0-173.5 -82.2 128.3 -70.4 -82.0 -39.1 732 336 B V - 0 0 20 -2,-0.4 2,-0.6 -27,-0.1 -211,-0.0 -0.986 14.3-148.0-119.3 123.3 -69.6 -85.6 -40.0 733 337 B E - 0 0 122 -2,-0.5 2,-0.6 14,-0.1 14,-0.1 -0.811 15.1-148.0 -91.2 121.0 -72.2 -88.3 -39.5 734 338 B Y - 0 0 21 -2,-0.6 2,-0.0 11,-0.1 -2,-0.0 -0.794 6.8-144.5 -94.8 123.0 -70.6 -91.6 -38.7 735 339 B K > - 0 0 122 -2,-0.6 4,-2.1 1,-0.1 5,-0.2 -0.249 34.2 -93.5 -75.5 172.0 -72.4 -94.8 -39.8 736 340 B A H > S+ 0 0 70 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.872 121.2 50.6 -60.4 -45.5 -72.3 -98.0 -37.7 737 341 B N H > S+ 0 0 61 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.921 111.7 49.2 -59.5 -44.0 -69.3 -99.7 -39.2 738 342 B T H > S+ 0 0 13 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.895 110.3 51.0 -61.1 -40.8 -67.2 -96.6 -38.8 739 343 B Q H < S+ 0 0 71 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.830 109.5 51.7 -67.4 -30.5 -68.3 -96.3 -35.2 740 344 B R H < S+ 0 0 115 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.907 112.9 43.1 -73.3 -40.9 -67.4 -99.9 -34.6 741 345 B V H < S+ 0 0 0 -4,-2.3 25,-3.0 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