==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 28-DEC-09 3L7G . COMPND 2 MOLECULE: XAA-PRO DIPEPTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ALTEROMONAS SP.; . AUTHOR N.K.VYAS,A.NICKITENKO,F.A.QUIOCHO . 1259 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 57296.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 906 72.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 3.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 144 11.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 3 0.2 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 . 121 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 163 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 364 28.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 1.6 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 6 1 3 6 2 0 1 2 3 0 0 0 0 3 3 0 0 0 0 3 0 0 3 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 0 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 PARALLEL BRIDGES PER LADDER . 15 3 9 6 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 ANTIPARALLEL BRIDGES PER LADDER . 6 0 6 0 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 0 228 0, 0.0 2,-0.5 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0-170.3 -6.0 24.2 34.2 2 2 A N > - 0 0 66 1,-0.2 4,-3.1 2,-0.0 5,-0.3 -0.943 360.0-164.5-122.1 106.9 -4.3 25.8 31.2 3 3 A K H > S+ 0 0 156 -2,-0.5 4,-1.8 1,-0.2 -1,-0.2 0.899 97.0 48.5 -54.4 -40.8 -0.6 26.1 31.5 4 4 A L H > S+ 0 0 28 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.928 111.5 48.4 -65.2 -46.8 -0.7 28.6 28.6 5 5 A A H > S+ 0 0 18 1,-0.2 4,-1.3 2,-0.2 -2,-0.2 0.863 109.5 52.5 -63.4 -36.6 -3.6 30.5 30.2 6 6 A V H X S+ 0 0 98 -4,-3.1 4,-0.7 1,-0.2 -1,-0.2 0.894 111.3 47.7 -68.9 -33.5 -1.8 30.7 33.5 7 7 A L H >X S+ 0 0 43 -4,-1.8 4,-1.5 -5,-0.3 3,-0.9 0.910 103.2 62.7 -68.9 -42.4 1.2 32.1 31.7 8 8 A Y H 3X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.3 5,-0.3 0.855 91.2 65.1 -51.5 -42.5 -0.9 34.6 29.7 9 9 A A H 3X S+ 0 0 38 -4,-1.3 4,-2.0 1,-0.3 -1,-0.3 0.908 107.4 41.7 -48.5 -47.4 -1.9 36.4 32.9 10 10 A E H S+ 0 0 18 -4,-1.9 5,-3.6 2,-0.2 -1,-0.2 0.797 115.4 49.3 -69.2 -21.0 3.4 56.7 28.0 24 24 A E H ><5S+ 0 0 99 -4,-1.4 3,-1.6 3,-0.2 -2,-0.2 0.949 107.2 51.8 -75.8 -53.2 4.8 58.4 31.1 25 25 A R H 3<5S+ 0 0 56 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.753 123.6 31.8 -55.5 -22.7 8.2 58.8 29.6 26 26 A E T 3<5S- 0 0 65 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.268 109.3-118.0-118.7 9.5 6.6 60.5 26.6 27 27 A N T < 5 + 0 0 119 -3,-1.6 2,-0.3 1,-0.2 -3,-0.2 0.958 57.9 154.9 51.0 61.7 3.6 62.1 28.3 28 28 A L < - 0 0 16 -5,-3.6 -1,-0.2 1,-0.1 98,-0.2 -0.860 49.6-141.2-116.4 152.9 0.9 60.1 26.4 29 29 A D S S- 0 0 90 96,-2.2 2,-0.3 1,-0.3 97,-0.2 0.713 79.0 -46.2 -81.4 -22.7 -2.6 59.4 27.5 30 30 A G E -a 126 0A 0 95,-0.9 97,-2.1 -7,-0.1 2,-0.4 -0.927 55.2 -95.0 168.1 169.2 -2.3 55.9 26.0 31 31 A V E -aB 127 72A 0 41,-3.2 41,-2.3 -2,-0.3 2,-0.5 -0.924 24.5-155.8-113.9 130.2 -1.2 53.8 23.0 32 32 A V E -aB 128 71A 0 95,-3.6 97,-3.9 -2,-0.4 2,-0.6 -0.910 6.6-162.4-107.5 121.9 -3.5 52.6 20.2 33 33 A F E -aB 129 70A 0 37,-3.5 37,-2.8 -2,-0.5 2,-0.5 -0.901 3.4-158.5-107.2 117.5 -2.5 49.4 18.3 34 34 A H E - B 0 69A 0 95,-2.4 97,-0.3 -2,-0.6 35,-0.2 -0.829 11.4-150.6 -98.3 124.8 -4.2 48.8 14.9 35 35 A S - 0 0 0 33,-3.0 18,-1.7 -2,-0.5 2,-0.2 0.714 44.9-126.4 -64.4 -20.8 -4.2 45.2 13.6 36 36 A G - 0 0 5 32,-0.3 31,-2.9 16,-0.2 32,-0.3 -0.610 19.0 -97.3 106.6-167.8 -4.2 46.5 10.0 37 37 A Q - 0 0 50 29,-0.2 14,-0.3 -2,-0.2 2,-0.3 -0.860 35.8 -85.5-143.2 176.4 -6.4 45.8 7.0 38 38 A A - 0 0 38 -2,-0.3 2,-0.5 12,-0.1 12,-0.1 -0.696 39.2-131.3 -89.4 142.8 -6.5 43.6 3.9 39 39 A K - 0 0 96 -2,-0.3 9,-2.3 9,-0.3 2,-0.4 -0.830 17.2-136.6 -96.3 130.2 -4.7 44.9 0.8 40 40 A R B -F 47 0B 133 -2,-0.5 7,-0.3 7,-0.2 2,-0.2 -0.707 21.3-114.6 -89.9 134.9 -6.7 44.8 -2.4 41 41 A Q > - 0 0 66 5,-2.6 3,-2.7 -2,-0.4 5,-0.2 -0.478 48.9 -87.0 -69.0 130.6 -4.9 43.6 -5.6 42 42 A F T 3 S- 0 0 164 1,-0.3 -1,-0.1 -2,-0.2 3,-0.1 -0.087 104.9 -10.2 -45.2 125.9 -4.7 46.5 -8.1 43 43 A L T 3 S+ 0 0 147 1,-0.2 -1,-0.3 -3,-0.1 2,-0.2 0.482 120.5 96.1 61.9 7.6 -7.7 46.8 -10.4 44 44 A D S < S- 0 0 76 -3,-2.7 -1,-0.2 2,-0.2 -4,-0.0 -0.467 75.4-131.5-114.8-175.8 -9.0 43.4 -9.0 45 45 A D S S+ 0 0 114 -2,-0.2 2,-0.2 -3,-0.1 -3,-0.1 0.255 78.5 96.1-120.9 8.7 -11.4 42.4 -6.3 46 46 A M - 0 0 97 -5,-0.2 -5,-2.6 -4,-0.1 2,-0.3 -0.524 62.9-144.1 -91.8 163.2 -9.1 39.8 -4.8 47 47 A Y B -F 40 0B 128 -7,-0.3 -7,-0.2 -2,-0.2 3,-0.1 -0.900 15.8-111.7-128.0 158.8 -6.9 40.5 -1.8 48 48 A Y - 0 0 130 -9,-2.3 -9,-0.3 -2,-0.3 3,-0.1 -0.464 57.0 -81.0 -79.6 159.4 -3.4 39.5 -0.7 49 49 A P - 0 0 68 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.351 55.0-106.5 -62.9 147.6 -3.4 37.3 2.4 50 50 A F - 0 0 44 -12,-0.1 2,-0.5 -3,-0.1 -12,-0.1 -0.552 32.4-168.7 -77.9 137.2 -3.7 39.3 5.5 51 51 A K - 0 0 126 -14,-0.3 -14,-0.1 -2,-0.3 13,-0.1 -0.921 21.1-130.7-130.7 106.6 -0.6 39.8 7.7 52 52 A V - 0 0 13 11,-0.8 -16,-0.2 -2,-0.5 -17,-0.1 -0.067 27.4 -98.0 -56.6 151.6 -1.3 41.3 11.2 53 53 A N >> - 0 0 28 -18,-1.7 3,-2.9 1,-0.2 4,-1.7 -0.611 30.5-140.3 -69.7 116.1 0.6 44.2 12.6 54 54 A P H 3> S+ 0 0 36 0, 0.0 4,-0.9 0, 0.0 -1,-0.2 0.866 102.3 60.9 -45.0 -44.2 3.3 42.6 14.9 55 55 A Q H 34 S+ 0 0 7 1,-0.2 4,-0.2 2,-0.2 -20,-0.1 0.671 108.5 45.3 -60.5 -17.8 2.8 45.3 17.4 56 56 A F H X> S+ 0 0 0 -3,-2.9 3,-1.3 -22,-0.2 4,-0.8 0.859 109.7 48.5 -94.5 -45.5 -0.8 44.1 17.7 57 57 A K H 3< S+ 0 0 32 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.1 0.548 93.6 82.8 -73.2 -2.0 -0.4 40.4 17.9 58 58 A A T 3< S+ 0 0 9 -4,-0.9 -1,-0.3 -5,-0.3 -2,-0.1 0.889 96.1 41.3 -64.8 -36.1 2.2 41.2 20.6 59 59 A W T <4 S+ 0 0 3 -3,-1.3 -2,-0.2 -4,-0.2 -1,-0.2 0.807 127.6 3.0 -81.4 -36.5 -0.7 41.5 23.0 60 60 A L S < S- 0 0 2 -4,-0.8 2,-1.9 2,-0.1 -1,-0.2 -0.995 73.7-101.1-153.2 157.7 -2.9 38.5 22.0 61 61 A P S S+ 0 0 25 0, 0.0 2,-0.6 0, 0.0 189,-0.1 -0.272 75.1 120.5 -77.6 53.6 -3.1 35.5 19.6 62 62 A V + 0 0 7 -2,-1.9 -2,-0.1 188,-0.1 3,-0.1 -0.904 22.5 146.1-117.4 97.2 -5.5 37.2 17.1 63 63 A I + 0 0 51 -2,-0.6 -11,-0.8 1,-0.1 -1,-0.1 0.477 60.5 56.5-113.5 -4.6 -3.5 37.1 13.9 64 64 A D S S+ 0 0 127 -13,-0.1 -1,-0.1 1,-0.1 -14,-0.1 0.030 86.2 91.7-116.1 26.3 -6.2 36.6 11.2 65 65 A N - 0 0 23 -3,-0.1 3,-0.4 -30,-0.1 18,-0.1 -0.904 53.1-164.7-131.8 110.7 -8.4 39.6 11.9 66 66 A P S S+ 0 0 19 0, 0.0 17,-0.3 0, 0.0 -29,-0.2 -0.260 70.7 40.9 -79.9 173.9 -8.1 43.0 10.4 67 67 A H S S+ 0 0 31 -31,-2.9 2,-0.4 1,-0.2 -30,-0.1 0.789 80.0 137.6 59.0 32.2 -9.8 46.2 11.7 68 68 A C - 0 0 0 -3,-0.4 -33,-3.0 -32,-0.3 2,-0.4 -0.883 34.9-161.8-109.0 140.4 -9.1 45.3 15.4 69 69 A W E -BC 34 81A 5 12,-2.4 12,-2.9 -2,-0.4 2,-0.5 -0.980 12.2-163.5-130.6 135.2 -7.9 47.9 17.7 70 70 A I E -BC 33 80A 0 -37,-2.8 -37,-3.5 -2,-0.4 2,-0.4 -0.946 8.7-177.0-113.5 131.4 -6.1 47.9 21.0 71 71 A V E +BC 32 79A 13 8,-1.6 8,-2.7 -2,-0.5 2,-0.3 -0.986 18.3 155.3-129.8 119.9 -6.1 51.0 23.2 72 72 A A E -B 31 0A 3 -41,-2.3 -41,-3.2 -2,-0.4 5,-0.1 -0.976 37.7-174.2-145.7 158.0 -4.1 50.9 26.4 73 73 A N - 0 0 34 3,-0.4 -50,-0.1 -2,-0.3 -1,-0.1 0.349 53.4-114.6-129.5 -1.1 -2.3 53.0 29.1 74 74 A G S S+ 0 0 1 2,-0.3 -54,-0.2 1,-0.1 -55,-0.1 -0.031 104.5 63.5 92.4 -31.8 -0.9 50.1 31.2 75 75 A T S S+ 0 0 94 -56,-0.1 2,-0.1 2,-0.1 -1,-0.1 0.879 95.9 54.0 -93.7 -44.3 -2.9 50.9 34.3 76 76 A D S S- 0 0 100 1,-0.1 -3,-0.4 -60,-0.1 -2,-0.3 -0.445 104.9 -79.9 -87.5 164.0 -6.5 50.3 33.2 77 77 A K - 0 0 119 -2,-0.1 -1,-0.1 1,-0.1 2,-0.1 -0.358 57.9-110.5 -57.8 137.0 -7.8 47.2 31.6 78 78 A P - 0 0 2 0, 0.0 27,-2.6 0, 0.0 2,-0.3 -0.484 27.9-125.0 -76.2 147.6 -6.8 47.3 27.9 79 79 A K E -Cd 71 105A 56 -8,-2.7 -8,-1.6 25,-0.2 2,-0.5 -0.723 18.6-164.0 -93.0 138.9 -9.6 47.9 25.3 80 80 A L E -Cd 70 106A 0 25,-1.8 27,-2.0 -2,-0.3 2,-1.1 -0.872 6.7-165.4-125.9 99.1 -10.1 45.5 22.4 81 81 A I E -Cd 69 107A 0 -12,-2.9 -12,-2.4 -2,-0.5 2,-0.6 -0.746 23.8-163.5 -82.5 104.8 -12.2 46.7 19.5 82 82 A F E - d 0 108A 20 25,-1.8 27,-2.4 -2,-1.1 2,-0.5 -0.850 14.6-133.7-101.9 115.4 -12.7 43.3 17.9 83 83 A Y E + d 0 109A 47 -2,-0.6 27,-0.2 -17,-0.3 -15,-0.1 -0.522 37.2 157.3 -70.1 114.0 -13.9 43.1 14.3 84 84 A R - 0 0 51 25,-2.3 -1,-0.1 -2,-0.5 -2,-0.1 -0.673 21.9-167.4-138.2 79.8 -16.7 40.5 14.0 85 85 A P - 0 0 31 0, 0.0 2,-0.4 0, 0.0 26,-0.1 -0.109 11.3-138.5 -65.0 165.2 -18.8 41.3 10.9 86 86 A V + 0 0 93 24,-0.4 2,-0.2 6,-0.1 5,-0.1 -0.987 44.4 121.7-131.8 122.8 -22.1 39.8 10.2 87 87 A D > - 0 0 59 -2,-0.4 3,-1.4 3,-0.4 0, 0.0 -0.724 62.7-120.2-180.0 127.1 -23.1 38.6 6.8 88 88 A F T 3 S+ 0 0 184 1,-0.3 4,-0.0 -2,-0.2 3,-0.0 0.583 103.1 75.7 -48.6 -15.1 -24.2 35.3 5.4 89 89 A W T 3 S+ 0 0 196 1,-0.1 2,-0.4 2,-0.1 -1,-0.3 0.898 97.6 36.9 -67.9 -45.6 -21.2 35.4 3.0 90 90 A H S < S- 0 0 129 -3,-1.4 -3,-0.4 1,-0.0 2,-0.2 -0.877 93.9-102.0-113.8 145.5 -18.4 34.5 5.5 91 91 A K - 0 0 210 -2,-0.4 -3,-0.1 1,-0.1 -2,-0.1 -0.421 35.6-136.2 -64.6 130.3 -18.6 32.1 8.4 92 92 A V - 0 0 53 -2,-0.2 -1,-0.1 -8,-0.1 3,-0.1 -0.809 11.8-146.6 -97.2 114.9 -19.1 34.0 11.7 93 93 A P - 0 0 79 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.371 32.3 -96.3 -72.1 153.8 -16.9 32.8 14.7 94 94 A D - 0 0 125 1,-0.1 3,-0.2 -2,-0.1 0, 0.0 -0.206 56.3 -76.2 -65.6 165.4 -18.4 33.0 18.1 95 95 A E S S- 0 0 117 1,-0.2 -1,-0.1 -3,-0.1 -11,-0.0 -0.278 71.7 -72.1 -58.6 150.3 -17.5 36.1 20.2 96 96 A P + 0 0 21 0, 0.0 -1,-0.2 0, 0.0 10,-0.1 -0.208 68.9 156.2 -46.1 122.3 -14.0 36.0 21.7 97 97 A N + 0 0 115 -3,-0.2 2,-0.1 4,-0.0 -2,-0.1 0.181 28.1 104.1-142.8 20.8 -14.2 33.3 24.5 98 98 A E S >> S- 0 0 108 1,-0.0 3,-1.5 -93,-0.0 4,-0.7 -0.418 89.3 -78.3 -98.7 179.0 -10.8 31.9 25.2 99 99 A Y T 34 S+ 0 0 44 1,-0.3 3,-0.4 2,-0.2 4,-0.2 0.783 127.7 50.8 -47.4 -35.8 -8.5 32.5 28.1 100 100 A W T >4 S+ 0 0 8 1,-0.2 3,-1.5 2,-0.2 4,-0.3 0.734 90.4 77.3 -79.0 -21.0 -7.2 35.9 26.7 101 101 A A G X4 S+ 0 0 9 -3,-1.5 3,-1.8 1,-0.3 5,-0.2 0.910 88.1 60.9 -53.3 -42.5 -10.7 37.3 26.1 102 102 A D G 3< S+ 0 0 124 -4,-0.7 -1,-0.3 -3,-0.4 -2,-0.2 0.709 93.3 63.5 -59.8 -23.4 -11.0 38.0 29.8 103 103 A Y G < S+ 0 0 69 -3,-1.5 2,-0.3 -4,-0.2 -1,-0.3 0.488 99.8 62.0 -84.3 2.5 -8.0 40.3 29.9 104 104 A F S < S- 0 0 7 -3,-1.8 2,-1.2 -4,-0.3 -25,-0.2 -0.898 78.6-126.6-126.8 154.6 -9.6 42.9 27.6 105 105 A D E -d 79 0A 75 -27,-2.6 -25,-1.8 -2,-0.3 2,-0.4 -0.833 45.5-156.2 -98.2 89.8 -12.6 45.1 27.7 106 106 A I E -d 80 0A 43 -2,-1.2 2,-0.5 -5,-0.2 -25,-0.2 -0.586 20.2-175.8 -77.2 124.4 -13.9 43.9 24.3 107 107 A E E -d 81 0A 68 -27,-2.0 -25,-1.8 -2,-0.4 2,-0.2 -0.986 26.0-128.8-121.1 119.5 -16.2 45.9 22.1 108 108 A L E -d 82 0A 63 -2,-0.5 2,-0.5 -27,-0.2 -25,-0.2 -0.494 17.3-157.2 -74.2 136.4 -17.5 44.2 18.9 109 109 A L E +d 83 0A 0 -27,-2.4 -25,-2.3 -2,-0.2 6,-0.0 -0.968 15.8 175.6-117.9 119.3 -17.1 46.1 15.6 110 110 A V S S+ 0 0 61 -2,-0.5 -24,-0.4 1,-0.2 -1,-0.1 0.710 72.6 35.3 -95.2 -25.9 -19.4 45.1 12.7 111 111 A K S > S- 0 0 117 -26,-0.1 3,-2.6 1,-0.1 4,-0.3 -0.994 74.8-135.5-133.0 126.6 -18.4 47.6 10.1 112 112 A P G > S+ 0 0 45 0, 0.0 3,-0.7 0, 0.0 -1,-0.1 0.754 105.2 56.2 -51.1 -27.2 -14.8 48.9 9.7 113 113 A D G 3 S+ 0 0 121 1,-0.2 3,-0.3 2,-0.1 -4,-0.0 0.345 92.7 70.2 -91.6 11.2 -16.0 52.5 9.4 114 114 A Q G X + 0 0 67 -3,-2.6 3,-0.9 1,-0.1 4,-0.5 0.450 68.4 99.3-100.8 -3.6 -17.8 52.4 12.7 115 115 A V G X> + 0 0 6 -3,-0.7 4,-0.6 -4,-0.3 3,-0.5 0.665 63.7 74.6 -58.7 -22.8 -14.7 52.3 14.9 116 116 A E G >4 S+ 0 0 104 -3,-0.3 3,-1.0 1,-0.2 -1,-0.2 0.899 92.4 50.2 -64.3 -41.9 -14.6 56.0 15.7 117 117 A K G <4 S+ 0 0 164 -3,-0.9 -1,-0.2 1,-0.2 -2,-0.2 0.746 110.8 53.0 -69.8 -17.0 -17.4 56.0 18.2 118 118 A L G <4 S+ 0 0 30 -3,-0.5 -1,-0.2 -4,-0.5 -2,-0.2 0.567 100.0 79.7 -90.5 -8.7 -15.7 53.1 20.0 119 119 A L S << S- 0 0 10 -3,-1.0 4,-0.1 -4,-0.6 -48,-0.0 -0.480 99.7 -65.2 -95.8 166.3 -12.4 54.9 20.2 120 120 A P - 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0 0 23 3,-0.1 3,-2.3 116,-0.1 63,-0.3 -0.780 54.1 -87.4-178.0 131.1 24.8 53.4 25.5 715 288 B P T 3 S+ 0 0 47 0, 0.0 63,-0.2 0, 0.0 3,-0.1 -0.061 112.9 26.9 -43.3 134.7 24.8 50.9 28.4 716 289 B G T 3 S+ 0 0 23 61,-3.0 2,-0.1 1,-0.3 62,-0.1 0.130 94.1 123.8 96.1 -20.0 27.9 48.7 28.4 717 290 B K < - 0 0 50 -3,-2.3 60,-3.2 60,-0.1 2,-0.6 -0.395 62.1-120.4 -79.5 151.8 30.1 51.3 26.7 718 291 B L B >> -A 776 0M 64 58,-0.2 3,-1.4 1,-0.2 4,-0.9 -0.809 7.6-142.5 -94.2 121.1 33.3 52.7 28.1 719 292 B Y H >> S+ 0 0 75 56,-1.7 4,-2.2 -2,-0.6 3,-0.9 0.892 101.8 70.3 -45.3 -41.5 33.5 56.5 28.6 720 293 B G H 3> S+ 0 0 26 55,-0.3 4,-2.3 1,-0.3 -1,-0.3 0.880 92.4 55.1 -41.1 -53.1 37.0 56.1 27.4 721 294 B E H <> S+ 0 0 96 -3,-1.4 4,-2.3 1,-0.2 -1,-0.3 0.878 108.9 46.8 -48.8 -47.4 35.7 55.3 23.9 722 295 B L H S+ 0 0 0 -4,-3.3 5,-3.0 1,-0.2 6,-1.7 0.894 115.6 39.8 -57.9 -40.8 41.1 71.8 13.8 735 308 B S H ><5S+ 0 0 28 -4,-2.2 3,-1.5 -5,-0.2 -2,-0.2 0.956 113.2 52.3 -74.1 -51.0 42.1 70.5 10.4 736 309 B D H 3<5S+ 0 0 97 -4,-3.3 -2,-0.2 1,-0.3 -1,-0.2 0.754 114.2 43.2 -57.8 -29.0 38.9 71.4 8.5 737 310 B F T 3<5S- 0 0 19 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.438 112.6-117.5 -97.6 -0.7 39.0 75.0 9.7 738 311 B N T < 5S+ 0 0 87 -3,-1.5 74,-0.2 2,-0.3 -3,-0.2 0.945 75.4 129.6 65.6 48.6 42.7 75.4 9.1 739 312 B I S > - 0 0 51 -2,-0.3 4,-2.4 1,-0.1 3,-0.6 -0.349 42.5-102.3 -75.8 161.2 45.1 65.9 9.1 744 317 B A H 3> S+ 0 0 4 1,-0.3 4,-2.2 2,-0.2 3,-0.5 0.932 125.9 46.7 -47.1 -55.8 42.8 64.8 11.9 745 318 B D H 3> S+ 0 0 107 1,-0.3 4,-2.2 2,-0.2 -1,-0.3 0.800 111.3 53.6 -59.0 -29.2 45.0 61.7 12.4 746 319 B E H <> S+ 0 0 89 -3,-0.6 4,-1.5 2,-0.2 -1,-0.3 0.853 109.3 47.6 -72.5 -35.9 48.0 63.9 12.3 747 320 B I H <>S+ 0 0 0 -4,-2.4 5,-1.9 -3,-0.5 6,-0.9 0.822 115.2 44.7 -74.1 -34.8 46.6 66.2 15.0 748 321 B V H ><5S+ 0 0 42 -4,-2.2 3,-2.0 -5,-0.2 -2,-0.2 0.942 110.4 54.1 -74.2 -48.5 45.6 63.3 17.3 749 322 B A H 3<5S+ 0 0 81 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.875 110.6 46.0 -52.1 -44.8 48.9 61.4 16.8 750 323 B K T 3<5S- 0 0 99 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.283 109.4-122.1 -85.8 11.1 51.0 64.5 17.9 751 324 B G T < 5 + 0 0 38 -3,-2.0 -3,-0.2 1,-0.1 -2,-0.1 0.799 68.8 135.4 53.0 36.3 48.7 65.2 20.9 752 325 B I > < + 0 0 0 -5,-1.9 3,-2.0 1,-0.2 4,-0.2 0.808 54.0 73.1 -81.9 -31.3 47.9 68.7 19.7 753 326 B T G >> S+ 0 0 8 -6,-0.9 3,-3.1 1,-0.3 4,-1.5 0.894 82.6 69.6 -49.2 -48.1 44.2 68.5 20.4 754 327 B S G 34 S+ 0 0 60 1,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.541 91.1 60.3 -52.3 -9.2 44.7 68.7 24.2 755 328 B T G <4 S+ 0 0 20 -3,-2.0 37,-0.5 1,-0.1 -1,-0.3 0.472 112.8 37.0 -98.1 -3.3 45.8 72.4 23.9 756 329 B F T <4 S+ 0 0 0 -3,-3.1 34,-3.2 -4,-0.2 -2,-0.2 0.534 128.9 33.2-116.1 -19.8 42.4 73.4 22.4 757 330 B F < + 0 0 2 -4,-1.5 -1,-0.2 32,-0.2 -2,-0.1 -0.727 68.4 163.3-141.2 81.7 40.4 71.0 24.6 758 331 B P + 0 0 54 0, 0.0 2,-0.2 0, 0.0 -4,-0.1 0.458 51.3 67.6 -82.0 -5.6 42.0 70.7 28.0 759 332 B H S S- 0 0 45 1,-0.2 29,-0.1 29,-0.0 -2,-0.0 -0.509 86.5 -82.9-112.7-176.1 39.2 69.2 30.1 760 333 B G - 0 0 34 -2,-0.2 -1,-0.2 1,-0.1 3,-0.1 -0.204 33.4-121.2 -75.4 173.1 37.2 66.0 30.3 761 334 B L S S- 0 0 0 1,-0.2 25,-3.3 24,-0.1 2,-0.3 0.737 76.3 -39.1 -88.6 -26.5 34.2 65.2 28.2 762 335 B G - 0 0 20 23,-0.2 2,-0.3 24,-0.1 -1,-0.2 -0.985 48.7-144.5-178.1-176.1 31.7 64.8 30.9 763 336 B H - 0 0 36 -2,-0.3 21,-1.2 21,-0.2 2,-0.1 -0.968 36.5 -85.7-160.9 164.4 30.8 63.5 34.4 764 337 B H B -C 783 0O 21 7,-0.4 7,-1.5 -2,-0.3 2,-0.3 -0.404 46.5-164.7 -71.0 160.0 28.0 62.0 36.4 765 338 B I + 0 0 0 17,-1.8 17,-0.3 5,-0.2 2,-0.2 -0.976 32.6 104.4-145.3 153.4 25.6 64.6 37.8 766 339 B G S S+ 0 0 0 2,-1.2 -86,-2.2 -2,-0.3 -181,-0.1 -0.714 87.7 3.3 175.9-120.0 23.0 64.4 40.4 767 340 B L S S+ 0 0 6 -88,-0.2 2,-0.4 -2,-0.2 3,-0.1 0.766 136.8 39.3 -64.9 -25.3 22.8 65.6 44.0 768 341 B Q S S- 0 0 60 1,-0.1 -2,-1.2 -88,-0.1 3,-0.3 -0.966 86.2-128.1-125.6 140.7 26.3 67.1 43.3 769 342 B V S S+ 0 0 23 -2,-0.4 2,-1.0 1,-0.3 -1,-0.1 0.913 114.4 37.1 -53.3 -48.0 27.3 68.8 40.0 770 343 B H S S- 0 0 131 -5,-0.1 -1,-0.3 -3,-0.1 -5,-0.2 -0.849 103.1-156.5-105.8 90.1 30.4 66.5 39.9 771 344 B D 0 0 22 -7,-1.5 -7,-0.4 -2,-1.0 -2,-0.1 -0.241 360.0 360.0 -73.6 160.0 28.6 63.4 41.3 772 345 B V 0 0 56 -2,-0.0 -187,-0.2 -188,-0.0 -1,-0.1 0.636 360.0 360.0 -85.6 360.0 30.1 60.4 43.0 773 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 774 369 B T 0 0 159 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -53.1 37.5 51.8 32.1 775 370 B R - 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0 0 66 -2,-0.3 4,-2.8 1,-0.1 5,-0.3 -0.612 45.5-105.9 -87.4 150.2 62.2 36.2 30.9 1163 317 C A H > S+ 0 0 5 1,-0.3 4,-2.4 -2,-0.2 5,-0.2 0.880 124.3 46.0 -38.9 -48.0 58.8 36.2 32.6 1164 318 C D H > S+ 0 0 110 2,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.905 110.7 48.8 -65.8 -45.8 57.3 36.0 29.1 1165 319 C E H > S+ 0 0 78 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.791 111.7 53.1 -66.8 -25.0 59.6 33.3 27.7 1166 320 C I H <>S+ 0 0 0 -4,-2.8 5,-1.5 2,-0.2 6,-0.6 0.945 113.7 39.8 -72.0 -49.0 58.8 31.3 30.9 1167 321 C V H ><5S+ 0 0 45 -4,-2.4 3,-0.6 -5,-0.3 -2,-0.2 0.814 114.0 61.9 -65.8 -28.0 55.1 31.8 30.2 1168 322 C A H 3<5S+ 0 0 61 -4,-2.4 -2,-0.2 -6,-0.3 -1,-0.2 0.985 107.4 36.9 -59.7 -64.2 56.1 31.1 26.6 1169 323 C K T 3<5S- 0 0 79 -4,-2.9 -1,-0.2 1,-0.1 -2,-0.2 0.331 109.2-125.7 -74.2 9.8 57.5 27.6 27.1 1170 324 C G T X 5 + 0 0 33 -3,-0.6 3,-0.8 -4,-0.2 -3,-0.2 0.755 65.4 139.3 51.0 33.0 54.7 27.0 29.6 1171 325 C I G > < + 0 0 5 -5,-1.5 3,-3.0 1,-0.2 4,-0.3 0.833 52.7 81.4 -72.7 -31.4 57.0 25.9 32.3 1172 326 C T G >> S+ 0 0 7 -6,-0.6 3,-1.6 1,-0.3 4,-1.0 0.746 77.0 71.4 -44.4 -30.9 54.9 27.8 34.9 1173 327 C S G <4 S+ 0 0 64 -3,-0.8 -1,-0.3 1,-0.3 -2,-0.1 0.510 91.3 59.9 -68.9 -1.8 52.5 24.9 35.0 1174 328 C T G <4 S+ 0 0 22 -3,-3.0 37,-0.4 1,-0.1 -1,-0.3 0.506 111.1 36.5-102.8 -5.9 55.2 22.9 36.9 1175 329 C F T <4 S+ 0 0 0 -3,-1.6 34,-2.2 -4,-0.3 -2,-0.2 0.394 129.6 34.1-119.1 -7.1 55.5 25.3 39.8 1176 330 C F < + 0 0 2 -4,-1.0 -1,-0.2 32,-0.2 32,-0.1 -0.668 68.5 160.2-149.4 80.5 51.7 26.1 39.9 1177 331 C P + 0 0 54 0, 0.0 2,-0.2 0, 0.0 -4,-0.1 0.364 54.0 65.4 -87.5 1.7 49.9 22.9 38.8 1178 332 C H S S- 0 0 44 1,-0.2 29,-0.1 29,-0.1 0, 0.0 -0.674 89.7 -75.1-121.4 177.6 46.5 23.8 40.3 1179 333 C G - 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