==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-AUG-12 4GLK . COMPND 2 MOLECULE: ABIQ; . SOURCE 2 ORGANISM_SCIENTIFIC: LACTOCOCCUS LACTIS; . AUTHOR J.SAMSON,S.SPINELLI,C.CAMBILLAU,S.MOINEAU . 165 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9062.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 118 71.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 33 20.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.8 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 . 6 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 56 33.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.2 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 0 0 1 1 0 1 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 1 3 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 G 0 0 126 0, 0.0 2,-0.4 0, 0.0 36,-0.1 0.000 360.0 360.0 360.0 142.0 8.3 13.9 -20.5 2 2 A T - 0 0 82 34,-0.0 2,-0.2 1,-0.0 34,-0.1 -0.834 360.0-120.5-109.4 140.7 4.7 13.9 -21.7 3 3 A L + 0 0 6 -2,-0.4 2,-0.3 114,-0.1 34,-0.2 -0.464 43.1 163.9 -70.4 135.6 1.3 15.0 -20.3 4 4 A R E -A 36 0A 130 32,-1.8 32,-1.6 -2,-0.2 2,-0.3 -0.949 38.1 -96.3-146.6 169.6 -1.3 12.1 -20.0 5 5 A F E +A 35 0A 12 -2,-0.3 96,-2.1 96,-0.2 2,-0.3 -0.669 45.3 166.5 -94.7 139.9 -4.6 11.3 -18.3 6 6 A F E -AB 34 100A 12 28,-2.8 28,-3.2 -2,-0.3 2,-0.3 -0.950 27.1-147.6-143.7 165.1 -4.7 9.3 -15.1 7 7 A T E - B 0 99A 31 92,-2.5 92,-3.1 -2,-0.3 2,-0.3 -0.790 22.0-134.1-122.5 164.9 -6.9 8.3 -12.2 8 8 A V E - B 0 98A 3 24,-0.3 90,-0.2 -2,-0.3 24,-0.2 -0.895 33.0 -91.6-119.2 149.9 -5.6 7.8 -8.7 9 9 A T > - 0 0 24 88,-1.6 4,-2.3 -2,-0.3 5,-0.2 -0.413 27.1-130.9 -62.3 140.8 -6.5 4.8 -6.4 10 10 A D H > S+ 0 0 35 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.846 109.5 57.2 -57.2 -34.3 -9.6 5.5 -4.2 11 11 A E H > S+ 0 0 131 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.931 107.8 43.5 -64.8 -51.0 -7.5 4.2 -1.3 12 12 A Y H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.881 115.8 49.0 -62.2 -42.9 -4.7 6.7 -1.8 13 13 A I H X S+ 0 0 2 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.941 110.4 50.1 -62.3 -46.6 -7.2 9.6 -2.3 14 14 A A H < S+ 0 0 57 -4,-2.7 4,-0.4 1,-0.2 -2,-0.2 0.853 111.5 51.4 -59.7 -34.8 -9.2 8.5 0.8 15 15 A Y H >< S+ 0 0 31 -4,-1.9 3,-0.8 2,-0.2 4,-0.5 0.885 110.4 45.7 -69.2 -45.1 -5.8 8.6 2.7 16 16 A L H >X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 3,-1.4 0.882 106.2 60.8 -65.8 -37.9 -4.8 12.1 1.5 17 17 A R T 3< S+ 0 0 87 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.610 90.0 70.5 -65.8 -13.8 -8.4 13.4 2.4 18 18 A K T <4 S+ 0 0 146 -3,-0.8 -1,-0.3 -4,-0.4 -2,-0.2 0.859 117.8 20.6 -63.1 -37.7 -7.6 12.3 6.0 19 19 A F T <4 S+ 0 0 82 -3,-1.4 2,-0.4 -4,-0.5 -2,-0.2 0.705 132.1 39.5-105.7 -30.7 -5.2 15.3 6.2 20 20 A E >< - 0 0 22 -4,-2.5 3,-1.5 1,-0.1 -1,-0.2 -0.877 52.5-175.7-132.0 102.5 -6.3 17.6 3.3 21 21 A S T 3 S+ 0 0 96 -2,-0.4 4,-0.1 1,-0.3 -4,-0.1 0.587 83.1 71.9 -67.2 -15.7 -10.1 18.1 2.7 22 22 A K T 3 S+ 0 0 75 2,-0.1 -1,-0.3 128,-0.1 2,-0.1 0.682 72.0 105.6 -73.9 -20.9 -9.3 20.2 -0.5 23 23 A V S < S- 0 0 1 -3,-1.5 67,-0.1 1,-0.1 66,-0.0 -0.428 89.8 -96.4 -61.0 130.1 -8.2 16.9 -2.2 24 24 A H - 0 0 33 65,-0.3 2,-0.2 1,-0.1 -1,-0.1 -0.289 36.5-119.0 -57.4 129.8 -11.0 16.1 -4.7 25 25 A Y + 0 0 140 -4,-0.1 2,-0.3 -3,-0.1 -1,-0.1 -0.483 43.3 164.0 -68.1 140.0 -13.5 13.6 -3.6 26 26 A Q + 0 0 10 -2,-0.2 5,-0.3 -16,-0.1 2,-0.2 -0.979 15.9 165.1-153.2 155.2 -13.7 10.4 -5.6 27 27 A Y B > -G 30 0B 110 3,-0.9 3,-3.8 -2,-0.3 2,-0.2 -0.804 64.6 -53.3-168.4 133.0 -15.1 6.8 -5.4 28 28 A E T 3 S+ 0 0 131 1,-0.3 3,-0.1 -2,-0.2 -18,-0.0 -0.091 133.6 1.4 37.9 -89.5 -15.7 4.1 -8.1 29 29 A N T 3 S+ 0 0 164 -2,-0.2 -1,-0.3 1,-0.2 -3,-0.0 0.161 120.1 75.2-110.7 15.7 -17.8 6.2 -10.7 30 30 A N B < S+G 27 0B 107 -3,-3.8 -3,-0.9 2,-0.0 2,-0.2 -0.567 85.3 157.1-111.4 49.9 -17.7 9.5 -8.7 31 31 A A - 0 0 55 -5,-0.3 2,-0.4 -3,-0.1 -5,-0.1 -0.597 40.9-134.8 -94.0 147.9 -14.1 9.5 -10.2 32 32 A S - 0 0 16 -2,-0.2 2,-0.5 -24,-0.2 -24,-0.3 -0.796 10.0-141.9-101.5 136.7 -11.6 12.3 -10.8 33 33 A T E - C 0 50A 32 17,-0.6 17,-2.8 -2,-0.4 2,-0.3 -0.870 22.4-168.6-100.0 129.4 -9.5 12.7 -14.0 34 34 A Y E -AC 6 49A 0 -28,-3.2 -28,-2.8 -2,-0.5 2,-0.4 -0.829 10.1-150.9-114.4 154.9 -6.0 13.9 -13.4 35 35 A V E -AC 5 48A 0 13,-1.9 13,-2.5 -2,-0.3 2,-0.3 -0.982 31.9 -99.6-127.6 140.0 -3.3 15.1 -15.7 36 36 A G E -A 4 0A 0 -32,-1.6 -32,-1.8 -2,-0.4 11,-0.1 -0.983 56.8 -12.9-172.4 174.6 0.4 14.9 -15.2 37 37 A V E + 0 0 43 9,-0.5 -1,-0.2 -2,-0.3 10,-0.2 0.431 61.3 146.9 -85.1 130.7 3.3 15.2 -14.7 38 38 A V E S+ 0 0 3 8,-2.0 2,-0.3 1,-0.3 93,-0.2 0.615 74.9 18.6 -98.0 -23.2 2.8 19.0 -14.4 39 39 A L E - C 0 46A 16 7,-0.6 7,-2.1 92,-0.1 2,-0.8 -0.917 55.5-166.7-156.8 118.7 5.5 19.4 -11.7 40 40 A K E - C 0 45A 131 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.925 18.8-179.3-107.4 91.7 8.4 17.1 -10.8 41 41 A K - 0 0 23 3,-1.6 2,-0.1 -2,-0.8 4,-0.1 -0.493 63.1 -77.5-128.9 71.4 9.4 18.8 -7.6 42 42 A N S S+ 0 0 117 -2,-0.2 -1,-0.0 2,-0.1 -3,-0.0 -0.839 110.1 7.1-121.2 -35.4 11.5 16.7 -7.3 43 43 A D S S+ 0 0 139 -2,-0.1 2,-0.4 -3,-0.1 -3,-0.0 0.698 116.6 82.6 -79.5 -22.0 11.1 13.1 -6.2 44 44 A F S S- 0 0 39 50,-0.1 -3,-1.6 48,-0.0 2,-0.5 -0.692 70.1-149.6 -90.8 134.2 7.3 13.9 -6.3 45 45 A N E -C 40 0A 39 48,-0.4 48,-2.3 -2,-0.4 2,-0.4 -0.911 17.5-147.5-103.3 124.6 5.2 13.8 -9.4 46 46 A Y E -CD 39 92A 0 -7,-2.1 -8,-2.0 -2,-0.5 -7,-0.6 -0.800 11.0-166.9-100.2 134.3 2.3 16.2 -9.3 47 47 A F E - D 0 91A 2 44,-2.1 44,-2.1 -2,-0.4 -11,-0.2 -0.976 9.7-146.7-123.8 132.4 -1.1 15.7 -11.0 48 48 A I E -C 35 0A 0 -13,-2.5 -13,-1.9 -2,-0.4 2,-0.2 -0.851 19.1-125.5 -98.1 130.9 -3.8 18.3 -11.6 49 49 A P E -C 34 0A 1 0, 0.0 37,-2.0 0, 0.0 2,-0.4 -0.510 25.1-144.2 -74.1 142.5 -7.5 17.4 -11.4 50 50 A L E -CE 33 85A 10 -17,-2.8 -17,-0.6 35,-0.2 2,-0.4 -0.927 9.9-161.7-110.5 132.9 -9.4 18.4 -14.6 51 51 A L E - E 0 84A 51 33,-2.7 33,-2.9 -2,-0.4 2,-0.1 -0.975 20.6-126.6-113.7 129.9 -13.1 19.6 -14.6 52 52 A S E E 0 83A 62 -2,-0.4 31,-0.3 31,-0.3 30,-0.1 -0.409 360.0 360.0 -73.3 149.5 -15.1 19.5 -17.9 53 53 A Y 0 0 152 29,-1.6 -1,-0.1 -2,-0.1 31,-0.0 -0.532 360.0 360.0 -71.9 360.0 -16.8 22.7 -19.2 54 ! 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 55 57 A N >> 0 0 74 0, 0.0 4,-1.8 0, 0.0 3,-0.5 0.000 360.0 360.0 360.0-141.9 -23.1 27.2 -16.1 56 58 A P H 3> + 0 0 118 0, 0.0 4,-0.5 0, 0.0 5,-0.0 0.657 360.0 60.2 -39.1 -16.2 -22.7 31.0 -16.2 57 59 A E H >> S+ 0 0 150 2,-0.1 4,-1.4 3,-0.1 3,-0.5 0.987 112.3 32.3 -67.5 -66.0 -22.3 30.6 -12.5 58 60 A K H <> S+ 0 0 71 -3,-0.5 4,-2.3 1,-0.2 5,-0.2 0.862 112.8 58.2 -61.2 -54.5 -19.3 28.4 -12.5 59 61 A D H 3X S+ 0 0 24 -4,-1.8 4,-1.1 1,-0.2 -1,-0.2 0.759 109.7 48.6 -51.2 -31.9 -17.6 29.7 -15.7 60 62 A K H < S+ 0 0 14 -4,-2.3 3,-0.5 1,-0.2 7,-0.2 0.833 106.3 54.7 -69.9 -37.5 -13.3 30.1 -12.7 63 65 A K H >< S+ 0 0 130 -4,-1.1 3,-0.9 1,-0.2 -1,-0.2 0.831 105.1 54.3 -64.4 -36.5 -12.4 33.3 -14.7 64 66 A K H 3< S+ 0 0 78 -4,-1.3 -1,-0.2 1,-0.3 3,-0.2 0.675 104.9 55.7 -73.3 -19.9 -12.0 35.2 -11.4 65 67 A R T XX + 0 0 76 -3,-0.5 3,-2.3 -4,-0.5 4,-1.9 -0.111 62.6 136.5-106.1 39.5 -9.5 32.5 -10.2 66 68 A S T <4 + 0 0 80 -3,-0.9 -1,-0.2 1,-0.3 -2,-0.1 0.656 66.3 65.6 -58.2 -18.3 -7.1 32.8 -13.2 67 69 A R T 34 S+ 0 0 114 -3,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.635 119.5 21.3 -74.2 -16.2 -4.0 32.6 -10.8 68 70 A I T <4 S+ 0 0 0 -3,-2.3 19,-1.2 1,-0.2 20,-0.9 0.510 117.2 62.3-130.0 -19.1 -5.0 29.0 -9.8 69 71 A V E < -F 86 0A 3 -4,-1.9 2,-0.5 -7,-0.2 17,-0.2 -0.970 61.0-152.5-121.3 133.1 -7.2 27.7 -12.7 70 72 A T E -F 85 0A 3 15,-2.0 15,-2.9 -2,-0.4 2,-0.4 -0.935 17.8-137.6-102.9 129.3 -6.1 27.1 -16.3 71 73 A R E -F 84 0A 79 -2,-0.5 2,-0.3 13,-0.2 13,-0.2 -0.667 15.8-141.9 -86.2 129.7 -8.9 27.3 -18.9 72 74 A L E -F 83 0A 0 11,-3.0 10,-2.6 -2,-0.4 11,-1.0 -0.759 21.6-178.6 -97.3 140.6 -8.8 24.6 -21.6 73 75 A F E -F 81 0A 35 -2,-0.3 2,-0.5 8,-0.3 46,-0.2 -0.753 31.2 -98.3-128.8 175.3 -9.7 25.4 -25.2 74 76 A E E > -F 77 0A 30 6,-0.9 3,-1.7 3,-0.7 2,-0.3 -0.877 33.4-126.1-100.1 126.5 -10.0 23.5 -28.5 75 77 A I T 3 S+ 0 0 70 -2,-0.5 44,-0.1 40,-0.3 43,-0.0 -0.563 101.6 20.7 -71.4 131.5 -7.1 23.8 -30.9 76 78 A G T 3 S+ 0 0 85 -2,-0.3 -1,-0.3 0, 0.0 3,-0.0 0.555 130.5 51.3 83.6 8.8 -8.4 25.0 -34.3 77 79 A N E X S+ F 0 74A 79 -3,-1.7 3,-2.1 3,-0.1 -3,-0.7 -0.213 71.2 168.0-167.4 53.2 -11.5 26.3 -32.5 78 80 A I E 3 + 0 0 92 1,-0.3 -3,-0.1 -5,-0.2 0, 0.0 0.536 68.9 59.8 -58.0 -19.7 -9.8 28.4 -29.8 79 81 A N E 3 S+ 0 0 148 -6,-0.1 -1,-0.3 2,-0.1 -4,-0.1 0.401 83.6 91.9 -92.1 1.0 -12.9 30.2 -28.6 80 82 A N E < S- 0 0 62 -3,-2.1 -6,-0.9 -6,-0.3 2,-0.1 -0.864 74.1-142.1 -96.7 106.4 -14.7 27.0 -27.6 81 83 A P E + F 0 73A 26 0, 0.0 -8,-0.3 0, 0.0 3,-0.1 -0.483 21.4 179.2 -72.7 142.4 -13.9 26.2 -23.9 82 84 A L E - 0 0 8 -10,-2.6 -29,-1.6 1,-0.3 2,-0.3 0.606 52.0 -59.4-115.5 -24.5 -13.4 22.5 -23.0 83 85 A G E -EF 52 72A 0 -11,-1.0 -11,-3.0 -31,-0.3 2,-0.3 -0.989 49.9 -82.4 167.2-165.5 -12.6 22.5 -19.3 84 86 A Y E -EF 51 71A 4 -33,-2.9 -33,-2.7 -2,-0.3 2,-0.5 -0.996 13.6-146.6-141.6 138.5 -10.5 23.6 -16.3 85 87 A L E -EF 50 70A 0 -15,-2.9 -15,-2.0 -2,-0.3 2,-1.0 -0.866 15.8-151.6-100.2 126.3 -7.2 22.6 -14.6 86 88 A L E > + F 0 69A 10 -37,-2.0 3,-2.1 -2,-0.5 -17,-0.2 -0.709 19.2 174.8-102.9 77.5 -7.3 23.2 -10.9 87 89 A H G > S+ 0 0 0 -19,-1.2 3,-1.7 -2,-1.0 -1,-0.2 0.812 77.9 63.2 -48.9 -39.5 -3.6 23.9 -10.0 88 90 A H G 3 S+ 0 0 12 -20,-0.9 63,-2.1 1,-0.3 -1,-0.3 0.671 105.3 46.9 -62.4 -19.1 -4.6 24.7 -6.4 89 91 A N G < S+ 0 0 14 -3,-2.1 -65,-0.3 -21,-0.2 -1,-0.3 0.168 82.4 130.5-109.6 16.2 -5.9 21.1 -6.0 90 92 A M < - 0 0 0 -3,-1.7 -42,-0.2 -42,-0.1 61,-0.2 -0.300 39.1-161.7 -68.0 154.9 -2.9 19.3 -7.5 91 93 A I E -D 47 0A 0 -44,-2.1 -44,-2.1 65,-0.0 2,-0.4 -0.992 23.6-113.2-139.9 151.1 -1.4 16.4 -5.5 92 94 A P E -D 46 0A 0 0, 0.0 -46,-0.2 0, 0.0 -48,-0.0 -0.650 36.3-167.5 -80.9 133.2 1.8 14.4 -5.2 93 95 A V - 0 0 6 -48,-2.3 -48,-0.4 -2,-0.4 5,-0.1 -0.978 17.2-130.7-126.0 122.4 1.0 10.8 -6.3 94 96 A P >> - 0 0 17 0, 0.0 3,-1.6 0, 0.0 4,-0.5 -0.347 32.1-109.1 -65.4 150.4 3.4 7.8 -5.7 95 97 A D G >4 S+ 0 0 133 1,-0.3 3,-0.8 2,-0.2 -2,-0.0 0.808 116.0 59.1 -46.5 -40.0 4.1 5.7 -8.8 96 98 A S G 34 S+ 0 0 79 1,-0.2 -1,-0.3 3,-0.0 -3,-0.0 0.695 104.4 48.6 -65.5 -26.5 2.0 2.7 -7.3 97 99 A E G <4 S+ 0 0 22 -3,-1.6 -88,-1.6 -88,-0.1 2,-0.4 0.440 86.6 103.4 -97.7 -2.1 -1.2 4.8 -7.0 98 100 A L E << -B 8 0A 32 -3,-0.8 -90,-0.2 -4,-0.5 -92,-0.0 -0.694 50.9-168.8 -85.3 126.9 -1.2 6.2 -10.5 99 101 A I E -B 7 0A 71 -92,-3.1 -92,-2.5 -2,-0.4 -3,-0.0 -0.935 20.3-129.8-121.8 111.1 -3.7 4.6 -12.9 100 102 A P E -B 6 0A 90 0, 0.0 -94,-0.3 0, 0.0 -92,-0.0 -0.229 24.8-128.5 -55.9 140.2 -3.4 5.3 -16.7 101 103 A L - 0 0 49 -96,-2.1 2,-0.2 -67,-0.1 -96,-0.2 -0.835 15.4-148.6 -99.7 112.4 -6.8 6.3 -18.1 102 104 A P - 0 0 109 0, 0.0 2,-0.4 0, 0.0 -96,-0.0 -0.539 12.2-150.1 -77.0 135.9 -7.9 4.4 -21.2 103 105 A L - 0 0 54 -2,-0.2 2,-0.8 7,-0.0 -2,-0.0 -0.925 9.7-153.4-109.6 135.6 -10.1 6.4 -23.6 104 106 A D > - 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0 0 45 -6,-2.3 4,-2.8 -7,-0.1 5,-0.2 -0.388 26.9-124.9 -60.1 129.6 1.0 34.3 -0.0 144 146 A G H > S+ 0 0 51 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.828 103.3 44.7 -44.2 -56.6 -2.5 34.9 1.3 145 147 A Y H > S+ 0 0 42 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.906 119.1 41.1 -62.7 -46.9 -4.6 34.1 -1.8 146 148 A Y H > S+ 0 0 20 2,-0.2 4,-2.2 1,-0.2 3,-0.3 0.890 111.6 54.5 -70.0 -43.9 -2.7 31.0 -2.8 147 149 A L H < S+ 0 0 78 -4,-2.8 -2,-0.2 -10,-0.2 -1,-0.2 0.895 109.4 48.4 -56.7 -47.8 -2.3 29.5 0.7 148 150 A K H < S+ 0 0 127 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.744 118.6 38.2 -66.1 -32.0 -6.1 29.6 1.4 149 151 A F H < S+ 0 0 40 -4,-1.0 -1,-0.2 -3,-0.3 -2,-0.2 0.689 105.7 77.9 -91.5 -27.0 -7.1 28.0 -2.0 150 152 A S S < S- 0 0 2 -4,-2.2 -61,-0.2 -5,-0.1 -62,-0.1 -0.516 83.3-102.1 -96.7 159.4 -4.5 25.4 -2.3 151 153 A C - 0 0 2 -63,-2.1 2,-1.8 -61,-0.2 3,-0.1 -0.306 46.4-101.4 -60.0 152.0 -3.7 22.0 -0.8 152 154 A D > - 0 0 85 1,-0.2 4,-2.0 2,-0.1 3,-0.2 -0.674 47.5-171.1 -80.3 86.5 -1.1 22.0 1.9 153 155 A F H > S+ 0 0 2 -2,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.836 76.1 49.3 -50.5 -45.9 1.5 20.7 -0.7 154 156 A K H > S+ 0 0 84 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.865 109.7 49.9 -65.6 -40.8 4.2 20.0 1.9 155 157 A L H > S+ 0 0 58 2,-0.2 4,-2.5 -3,-0.2 -2,-0.2 0.911 111.2 51.0 -63.7 -41.6 2.0 18.0 4.3 156 158 A L H X S+ 0 0 1 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.898 109.1 51.0 -63.7 -39.8 0.8 15.9 1.3 157 159 A E H X S+ 0 0 17 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.904 110.2 49.4 -62.4 -43.5 4.4 15.3 0.3 158 160 A A H X S+ 0 0 48 -4,-2.1 4,-1.2 1,-0.2 -2,-0.2 0.892 115.9 42.9 -63.1 -41.8 5.2 14.1 3.9 159 161 A K H X S+ 0 0 53 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.795 108.2 59.2 -78.6 -23.8 2.2 11.8 3.8 160 162 A A H X S+ 0 0 1 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.903 107.6 45.6 -68.5 -41.8 2.8 10.5 0.2 161 163 A T H X S+ 0 0 43 -4,-1.8 4,-1.0 1,-0.2 -1,-0.2 0.868 112.3 53.3 -69.0 -34.4 6.3 9.2 1.2 162 164 A L H < S+ 0 0 84 -4,-1.2 4,-0.3 2,-0.2 -2,-0.2 0.831 107.1 51.6 -64.9 -39.9 4.7 7.6 4.4 163 165 A Y H >< S+ 0 0 26 -4,-1.8 3,-1.1 1,-0.2 -1,-0.2 0.934 112.5 44.7 -64.1 -48.5 2.1 5.9 2.3 164 166 A S H 3< S+ 0 0 68 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.622 107.4 56.8 -80.3 -10.4 4.7 4.4 -0.0 165 167 A K T 3< 0 0 165 -4,-1.0 -1,-0.3 -5,-0.1 -2,-0.2 0.455 360.0 360.0 -90.0 -4.9 7.0 3.3 2.8 166 168 A K < 0 0 177 -3,-1.1 -3,-0.1 -4,-0.3 -4,-0.0 -0.094 360.0 360.0 -48.4 360.0 4.1 1.3 4.2