==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE (CARBOXYLIC ESTER) 23-MAY-96 1LGY . COMPND 2 MOLECULE: TRIACYLGLYCEROL LIPASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RHIZOPUS NIVEUS; . AUTHOR M.KOHNO,J.FUNATSU,B.MIKAMI,W.KUGIMIYA,T.MATSUO,Y.MORITA . 795 3 9 9 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33236.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 583 73.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 79 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 120 15.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.4 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 . 69 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 104 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 198 24.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 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 0 1 3 3 0 0 2 0 0 0 1 1 4 0 0 0 0 0 0 0 3 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 3 3 6 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 . 9 2 6 0 3 0 6 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 . 2 1 2 0 0 0 0 3 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 5 A K 0 0 166 0, 0.0 231,-0.9 0, 0.0 232,-0.4 0.000 360.0 360.0 360.0 -16.5 35.9 67.9 44.2 2 6 A V E +A 231 0A 62 229,-0.2 229,-0.2 230,-0.1 2,-0.1 -0.840 360.0 170.0-136.2 91.4 39.5 68.6 45.2 3 7 A V E -A 230 0A 67 227,-1.6 227,-3.0 -2,-0.4 2,-0.3 -0.458 35.2-113.7 -98.1 165.3 39.7 71.9 47.1 4 8 A A E -A 229 0A 86 225,-0.2 2,-0.4 -2,-0.1 225,-0.2 -0.710 43.5-102.6 -91.8 158.9 42.4 73.6 49.1 5 9 A A - 0 0 15 223,-1.7 223,-0.2 -2,-0.3 2,-0.2 -0.659 24.0-125.3 -93.1 136.9 41.7 73.9 52.9 6 10 A T >> - 0 0 81 -2,-0.4 4,-1.7 1,-0.1 3,-1.6 -0.497 28.4-116.8 -68.6 144.6 40.5 77.2 54.4 7 11 A T H 3> S+ 0 0 95 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.887 116.6 64.2 -62.6 -27.3 42.9 78.1 57.2 8 12 A A H 3> S+ 0 0 63 1,-0.3 4,-1.0 2,-0.2 -1,-0.3 0.816 105.8 43.9 -56.7 -36.4 39.9 77.8 59.5 9 13 A Q H <> S+ 0 0 67 -3,-1.6 4,-2.5 2,-0.2 -1,-0.3 0.696 109.4 55.7 -79.5 -32.9 39.8 74.1 58.6 10 14 A I H X S+ 0 0 16 -4,-1.7 4,-0.8 2,-0.2 -2,-0.2 0.852 109.2 48.6 -71.0 -27.5 43.6 73.8 58.9 11 15 A Q H X S+ 0 0 118 -4,-2.5 4,-1.9 -5,-0.2 -2,-0.2 0.878 111.7 48.3 -73.9 -39.5 43.2 75.1 62.4 12 16 A E H X S+ 0 0 85 -4,-1.0 4,-1.4 1,-0.2 -2,-0.2 0.932 111.9 48.0 -68.2 -46.7 40.4 72.7 63.2 13 17 A F H X S+ 0 0 6 -4,-2.5 4,-1.0 1,-0.2 -1,-0.2 0.706 111.7 52.4 -65.5 -21.8 42.3 69.7 61.9 14 18 A T H X S+ 0 0 26 -4,-0.8 4,-2.5 2,-0.2 -1,-0.2 0.905 102.1 58.2 -83.2 -34.2 45.3 70.8 63.9 15 19 A K H X S+ 0 0 41 -4,-1.9 4,-1.1 1,-0.3 -2,-0.2 0.869 110.5 44.4 -59.1 -39.1 43.4 71.1 67.1 16 20 A Y H X S+ 0 0 17 -4,-1.4 4,-2.4 2,-0.2 -1,-0.3 0.760 107.6 54.3 -83.0 -24.8 42.4 67.4 66.8 17 21 A A H X S+ 0 0 0 -4,-1.0 4,-2.0 2,-0.2 -2,-0.2 0.953 109.2 52.7 -68.2 -41.7 45.8 66.1 65.8 18 22 A G H X S+ 0 0 0 -4,-2.5 4,-0.7 2,-0.2 -2,-0.2 0.823 110.4 46.0 -59.3 -34.3 47.1 67.9 69.0 19 23 A I H >X S+ 0 0 0 -4,-1.1 3,-1.2 2,-0.2 4,-0.7 0.951 109.0 54.4 -77.5 -46.3 44.5 66.1 71.2 20 24 A A H >< S+ 0 0 0 -4,-2.4 3,-1.0 1,-0.2 120,-0.3 0.870 104.9 58.3 -52.9 -27.2 45.2 62.7 69.6 21 25 A A H >< S+ 0 0 2 -4,-2.0 3,-1.5 1,-0.3 241,-0.2 0.796 92.5 66.4 -76.1 -21.8 48.9 63.4 70.6 22 26 A T H X< S+ 0 0 2 -3,-1.2 3,-2.0 -4,-0.7 7,-0.3 0.787 84.3 72.7 -67.7 -26.5 48.1 63.7 74.2 23 27 A A T << S+ 0 0 0 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.631 90.5 60.9 -68.5 -12.9 47.1 60.0 74.3 24 28 A Y T < S+ 0 0 17 -3,-1.5 2,-0.8 -4,-0.2 -1,-0.3 0.387 78.9 99.0 -91.8 1.5 50.7 59.1 74.1 25 29 A a X> - 0 0 9 -3,-2.0 4,-2.1 1,-0.2 3,-1.9 -0.828 65.5-151.0 -95.3 117.7 51.8 60.9 77.2 26 30 A R T 34>S+ 0 0 195 -2,-0.8 5,-2.9 1,-0.3 6,-0.2 0.830 96.0 64.3 -45.9 -41.6 52.0 58.3 80.0 27 31 A S T 345S+ 0 0 38 3,-0.2 6,-1.9 4,-0.2 -1,-0.3 0.720 106.4 43.1 -62.4 -24.0 51.1 61.1 82.4 28 32 A V T <>5S+ 0 0 0 -3,-1.9 4,-2.5 1,-0.4 -2,-0.2 0.917 119.0 43.9 -83.5 -59.7 47.7 61.4 80.7 29 33 A V T <5S- 0 0 3 -4,-2.1 -1,-0.4 -7,-0.3 33,-0.1 -0.991 137.1 -0.5-132.5 124.4 47.1 57.7 80.4 30 34 A P T 45S+ 0 0 60 0, 0.0 -1,-0.3 0, 0.0 -3,-0.2 -0.923 129.8 67.8 -89.0 20.9 47.6 55.8 82.7 31 35 A G T 4 S- 0 0 12 1,-0.1 4,-1.8 -3,-0.1 5,-0.2 -0.553 73.8-109.4-103.0 172.1 51.0 68.0 79.3 37 41 A V H >> S+ 0 0 123 1,-0.2 4,-1.5 2,-0.2 3,-0.5 0.998 120.2 39.0 -73.5 -57.6 52.0 70.6 76.7 38 42 A Q H 3> S+ 0 0 33 1,-0.2 4,-1.5 2,-0.2 5,-0.3 0.833 114.6 60.4 -51.5 -33.2 49.5 69.7 74.0 39 43 A b H 3> S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.899 110.0 36.1 -55.1 -51.7 46.9 69.1 76.8 40 44 A Q H << S+ 0 0 101 -4,-1.8 -1,-0.2 -3,-0.5 -2,-0.2 0.653 113.8 60.1 -84.3 -20.9 46.9 72.5 78.2 41 45 A K H < S+ 0 0 131 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.711 117.6 25.0 -80.8 -30.5 47.3 74.1 74.8 42 46 A W H < S+ 0 0 49 -4,-1.5 -2,-0.2 -3,-0.2 -3,-0.2 0.773 138.1 17.6-112.4 -35.6 44.1 72.7 73.2 43 47 A V >< + 0 0 0 -4,-2.1 3,-1.9 -5,-0.3 -2,-0.2 -0.415 66.9 171.9-136.4 70.1 41.8 72.0 76.0 44 48 A P T 3 S+ 0 0 69 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.674 77.1 48.1 -47.3 -33.1 43.1 73.9 79.1 45 49 A D T 3 S+ 0 0 26 2,-0.1 22,-0.4 -5,-0.0 23,-0.1 0.189 81.3 146.8 -99.2 25.7 40.1 73.3 81.4 46 50 A G < - 0 0 15 -3,-1.9 2,-0.6 -7,-0.2 20,-0.2 -0.316 34.7-159.9 -71.5 133.9 39.9 69.5 80.8 47 51 A K E -B 65 0A 93 18,-2.5 18,-2.3 -2,-0.1 2,-0.6 -0.975 20.0-134.2-105.2 111.7 38.8 67.2 83.5 48 52 A I E -B 64 0A 30 -2,-0.6 16,-0.3 16,-0.2 3,-0.1 -0.552 22.3-174.9 -63.7 112.5 40.0 63.6 82.8 49 53 A I E - 0 0 45 14,-2.1 2,-0.3 -2,-0.6 -1,-0.2 0.923 63.0 -23.7 -78.2 -40.9 36.8 61.5 83.5 50 54 A T E -B 63 0A 38 13,-1.4 13,-1.8 2,-0.0 2,-0.3 -0.987 48.7-153.1-157.1 163.1 38.6 58.2 83.0 51 55 A T E -B 62 0A 22 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.964 15.8-167.2-132.8 151.8 41.5 56.4 81.3 52 56 A F E -B 61 0A 9 9,-1.7 9,-1.6 -2,-0.3 2,-0.4 -0.993 0.9-166.5-139.1 144.7 41.5 52.7 80.3 53 57 A T E -B 60 0A 44 -2,-0.3 2,-0.7 7,-0.2 7,-0.2 -0.988 12.3-153.0-130.1 139.4 44.4 50.5 79.3 54 58 A S E >> -B 59 0A 12 5,-2.2 4,-1.9 -2,-0.4 5,-0.8 -0.904 7.3-172.1-112.9 106.8 44.3 47.1 77.6 55 59 A L T 45S+ 0 0 153 -2,-0.7 -1,-0.2 2,-0.2 5,-0.0 0.824 83.3 61.1 -67.6 -29.6 47.5 45.4 78.6 56 60 A L T 45S+ 0 0 153 1,-0.2 -1,-0.2 -3,-0.1 55,-0.1 0.963 127.1 9.7 -58.0 -62.6 46.7 42.5 76.2 57 61 A S T 45S- 0 0 37 2,-0.1 22,-0.4 54,-0.1 -2,-0.2 0.333 97.2-121.6 -99.6 5.7 46.7 44.8 73.0 58 62 A D T <5 + 0 0 51 -4,-1.9 2,-0.6 1,-0.2 -3,-0.2 0.870 55.6 156.3 46.3 44.4 48.1 48.1 74.4 59 63 A T E < +B 54 0A 5 -5,-0.8 -5,-2.2 19,-0.1 2,-0.3 -0.790 17.0 177.7 -91.9 115.8 45.0 49.9 73.4 60 64 A N E +BC 53 77A 4 17,-3.0 17,-2.0 -2,-0.6 2,-0.3 -0.873 7.7 147.7-119.0 162.8 44.8 53.0 75.7 61 65 A G E -BC 52 76A 0 -9,-1.6 -9,-1.7 -2,-0.3 2,-0.3 -0.987 23.1-144.7-170.8 179.3 42.3 55.8 75.8 62 66 A Y E -BC 51 75A 0 13,-1.9 13,-2.0 -2,-0.3 2,-0.5 -0.995 14.7-131.8-158.5 155.7 40.5 58.3 77.9 63 67 A V E -BC 50 74A 0 -13,-1.8 -14,-2.1 -2,-0.3 -13,-1.4 -0.908 31.4-178.6-105.8 135.3 37.3 60.2 78.4 64 68 A L E -BC 48 73A 0 9,-2.3 9,-2.7 -2,-0.5 2,-0.3 -0.996 12.3-157.8-132.9 135.1 37.8 63.9 78.9 65 69 A R E -BC 47 72A 38 -18,-2.3 -18,-2.5 -2,-0.4 2,-0.4 -0.898 3.9-169.8-113.2 148.1 35.1 66.7 79.6 66 70 A S E >> - C 0 71A 0 5,-2.1 5,-1.8 -2,-0.3 4,-0.7 -0.923 5.4-170.7-135.9 105.4 35.6 70.4 79.0 67 71 A D T 45S+ 0 0 44 -2,-0.4 3,-0.2 -22,-0.4 -1,-0.1 0.827 87.1 57.9 -68.6 -27.6 32.9 72.6 80.4 68 72 A K T 45S+ 0 0 148 1,-0.2 -1,-0.2 -23,-0.1 -2,-0.0 0.961 116.6 30.8 -64.7 -53.7 34.2 75.5 78.6 69 73 A Q T 45S- 0 0 58 2,-0.1 -1,-0.2 64,-0.0 -2,-0.2 0.411 102.8-128.0 -85.9 3.0 34.0 74.0 75.1 70 74 A K T <5 + 0 0 108 -4,-0.7 64,-2.1 1,-0.2 2,-0.4 0.926 64.3 131.7 45.3 52.4 31.0 71.9 76.0 71 75 A T E < -Cd 66 134A 7 -5,-1.8 -5,-2.1 62,-0.2 2,-0.5 -0.989 50.8-156.6-138.4 143.7 32.7 68.7 74.7 72 76 A I E -Cd 65 135A 0 62,-2.6 64,-2.2 -2,-0.4 2,-0.4 -0.997 25.2-156.0-114.8 117.0 33.2 65.3 75.9 73 77 A Y E -Cd 64 136A 0 -9,-2.7 -9,-2.3 -2,-0.5 2,-0.5 -0.821 12.1-164.5 -99.3 136.6 36.3 63.9 74.1 74 78 A L E -Cd 63 137A 0 62,-2.2 64,-2.7 -2,-0.4 2,-0.4 -0.995 19.8-175.4-118.4 121.3 36.9 60.2 73.6 75 79 A V E -Cd 62 138A 0 -13,-2.0 -13,-1.9 -2,-0.5 2,-0.3 -0.973 3.4-174.4-126.4 136.6 40.6 59.7 72.6 76 80 A F E +Cd 61 139A 0 62,-2.5 64,-0.7 -2,-0.4 2,-0.3 -0.832 11.9 171.6-125.6 163.0 42.4 56.5 71.6 77 81 A R E -C 60 0A 26 -17,-2.0 -17,-3.0 -2,-0.3 2,-0.1 -0.947 12.0-159.0-157.2 145.6 45.8 55.1 70.8 78 82 A G - 0 0 2 62,-0.4 2,-0.2 -2,-0.3 -19,-0.1 -0.195 59.8 -32.1 -95.9-156.2 47.2 51.6 70.2 79 83 A T - 0 0 35 -22,-0.4 63,-0.3 1,-0.1 -1,-0.3 -0.411 46.2-147.4 -56.3 133.0 50.8 50.7 70.4 80 84 A N S S+ 0 0 71 -2,-0.2 2,-1.2 -3,-0.1 3,-0.2 0.209 74.6 100.5 -89.5 16.4 53.3 53.3 69.5 81 85 A S + 0 0 57 1,-0.2 4,-0.5 2,-0.1 -2,-0.1 -0.848 53.4 174.5 -92.7 98.9 55.8 50.8 68.2 82 86 A F > + 0 0 19 -2,-1.2 4,-2.2 2,-0.2 -1,-0.2 0.820 64.4 58.0 -86.2 -26.8 54.8 51.6 64.6 83 87 A R H > S+ 0 0 148 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.778 114.7 41.4 -70.4 -23.0 57.2 49.5 62.4 84 88 A S H > S+ 0 0 57 2,-0.2 4,-0.8 3,-0.2 -1,-0.2 0.536 109.7 57.8 -94.8 -18.0 56.0 46.3 64.2 85 89 A A H 4 S+ 0 0 15 -4,-0.5 -2,-0.2 2,-0.1 -3,-0.2 0.878 115.4 38.6 -75.2 -41.4 52.3 47.4 64.2 86 90 A I H >< S+ 0 0 35 -4,-2.2 3,-0.9 1,-0.2 -2,-0.2 0.991 121.1 40.8 -73.3 -59.4 52.7 47.6 60.4 87 91 A T H 3< S+ 0 0 105 -4,-1.8 -1,-0.2 1,-0.3 -3,-0.2 0.712 115.7 51.7 -61.7 -26.4 55.0 44.5 59.7 88 92 A D T 3< S+ 0 0 121 -4,-0.8 -1,-0.3 -5,-0.1 2,-0.2 -0.197 84.5 114.9-104.3 40.2 53.1 42.2 62.3 89 93 A I < - 0 0 40 -3,-0.9 2,-0.4 2,-0.0 -3,-0.1 -0.632 54.8-142.4-104.0 162.3 49.5 42.8 61.1 90 94 A V - 0 0 91 -2,-0.2 2,-1.0 2,-0.1 17,-0.3 -0.999 7.8-148.0-119.6 131.2 47.1 40.2 59.5 91 95 A F + 0 0 62 -2,-0.4 2,-0.3 14,-0.1 -2,-0.0 -0.389 55.8 124.0 -97.2 58.8 44.8 41.4 56.7 92 96 A N - 0 0 76 -2,-1.0 14,-2.0 0, 0.0 15,-0.3 -0.745 50.5-126.3-110.3 164.7 41.9 39.1 57.6 93 97 A F E -I 105 0B 64 -2,-0.3 2,-0.3 12,-0.2 12,-0.2 -0.712 13.0-162.2-115.5 161.1 38.3 40.0 58.4 94 98 A S E -I 104 0B 46 10,-2.5 10,-1.7 -2,-0.2 2,-0.2 -0.909 39.6 -95.5-127.1 159.6 35.5 39.6 61.0 95 99 A D E -I 103 0B 101 -2,-0.3 2,-1.1 8,-0.2 8,-0.3 -0.560 24.3-134.4 -80.0 141.0 31.8 40.2 60.4 96 100 A Y > - 0 0 12 6,-2.4 3,-1.3 3,-0.3 6,-0.4 -0.836 20.9-162.0 -96.1 93.0 30.4 43.5 61.4 97 101 A K T 3 S+ 0 0 189 -2,-1.1 -1,-0.2 1,-0.2 3,-0.0 0.675 79.4 60.0 -53.7 -31.4 27.4 42.2 63.2 98 102 A P T 3 S+ 0 0 76 0, 0.0 2,-0.4 0, 0.0 -1,-0.2 0.818 107.0 47.7 -67.2 -29.8 25.3 45.4 63.2 99 103 A V S X S- 0 0 25 -3,-1.3 3,-1.6 3,-0.1 -3,-0.3 -0.967 83.0-127.1-125.9 126.5 25.3 45.7 59.4 100 104 A K T 3 S+ 0 0 208 -2,-0.4 3,-0.1 1,-0.3 -3,-0.1 -0.488 99.2 17.5 -73.4 122.7 24.4 42.9 56.9 101 105 A G T 3 S+ 0 0 48 1,-0.3 79,-0.3 -2,-0.2 -1,-0.3 0.218 100.1 120.4 97.5 -11.7 27.1 42.6 54.4 102 106 A A < + 0 0 2 -3,-1.6 -6,-2.4 -6,-0.4 2,-0.3 -0.596 33.5 176.4 -90.7 150.6 29.8 44.5 56.5 103 107 A K E -I 95 0B 84 -8,-0.3 75,-2.2 -2,-0.2 2,-0.3 -0.985 7.4-165.7-147.8 135.7 33.1 43.2 57.7 104 108 A V E -IJ 94 177B 0 -10,-1.7 -10,-2.5 -2,-0.3 73,-0.3 -0.802 44.5 -68.8-118.3 167.1 35.9 45.0 59.6 105 109 A H E > -I 93 0B 8 71,-2.8 4,-1.7 -2,-0.3 -12,-0.2 -0.254 44.6-135.2 -54.9 129.0 39.5 44.1 60.3 106 110 A A H > S+ 0 0 17 -14,-2.0 4,-1.9 1,-0.2 -1,-0.1 0.851 97.0 44.2 -56.5 -42.4 39.6 41.2 62.7 107 111 A G H > S+ 0 0 26 -17,-0.3 4,-2.1 -15,-0.3 5,-0.2 0.882 112.3 50.9 -76.5 -32.5 42.3 42.5 65.1 108 112 A F H > S+ 0 0 8 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.906 111.2 49.1 -74.3 -40.1 41.1 46.0 65.5 109 113 A L H X S+ 0 0 19 -4,-1.7 4,-2.2 2,-0.2 3,-0.3 0.949 110.6 50.0 -63.4 -49.2 37.6 44.8 66.2 110 114 A S H X S+ 0 0 55 -4,-1.9 4,-0.9 1,-0.2 -2,-0.2 0.845 110.9 49.9 -60.6 -28.2 39.0 42.4 68.9 111 115 A S H X S+ 0 0 19 -4,-2.1 4,-0.5 2,-0.2 -1,-0.2 0.863 110.5 52.9 -71.1 -27.0 41.0 45.3 70.5 112 116 A Y H >X S+ 0 0 12 -4,-1.6 3,-1.4 -3,-0.3 4,-1.1 0.933 104.8 50.7 -74.9 -41.1 37.7 47.3 70.4 113 117 A E H 3< S+ 0 0 113 -4,-2.2 4,-0.4 1,-0.3 -1,-0.2 0.787 103.8 64.4 -66.0 -24.2 35.6 44.7 72.3 114 118 A Q H 3< S+ 0 0 75 -4,-0.9 -1,-0.3 -5,-0.2 -2,-0.2 0.707 114.6 25.9 -71.7 -21.3 38.4 44.6 74.8 115 119 A V H XX S+ 0 0 0 -3,-1.4 3,-1.0 -4,-0.5 4,-0.8 0.438 91.4 94.9-122.9 5.5 37.9 48.3 75.9 116 120 A V H >X S+ 0 0 14 -4,-1.1 4,-2.2 1,-0.3 3,-0.9 0.873 84.3 54.7 -71.6 -36.4 34.3 49.1 75.1 117 121 A N H 34 S+ 0 0 128 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.578 105.1 58.2 -75.4 -5.0 33.0 48.3 78.6 118 122 A D H <4 S+ 0 0 77 -3,-1.0 -1,-0.2 2,-0.1 -2,-0.2 0.683 119.5 21.0 -94.6 -21.1 35.6 50.8 79.9 119 123 A Y H XX S+ 0 0 0 -3,-0.9 4,-2.1 -4,-0.8 3,-0.7 0.744 107.6 72.2-110.1 -38.3 34.5 53.9 78.1 120 124 A F H 3X S+ 0 0 10 -4,-2.2 4,-1.9 1,-0.3 5,-0.1 0.848 100.2 42.6 -57.2 -44.6 30.9 53.4 77.0 121 125 A P H 3> S+ 0 0 63 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 0.822 114.1 55.8 -65.1 -28.1 29.1 53.7 80.5 122 126 A V H <> S+ 0 0 23 -3,-0.7 4,-1.8 2,-0.2 -2,-0.2 0.909 108.9 44.4 -69.7 -38.3 31.4 56.6 81.2 123 127 A V H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 5,-0.2 0.916 112.9 52.1 -66.1 -46.8 30.3 58.6 78.0 124 128 A Q H X S+ 0 0 60 -4,-1.9 4,-1.3 -5,-0.3 -2,-0.2 0.926 109.1 50.5 -53.0 -47.2 26.7 57.7 78.6 125 129 A E H X S+ 0 0 119 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.852 108.6 51.1 -60.7 -42.6 26.9 59.1 82.2 126 130 A Q H X S+ 0 0 16 -4,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.835 107.2 52.7 -72.1 -24.9 28.5 62.3 81.0 127 131 A L H < S+ 0 0 5 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.811 111.4 47.0 -76.1 -26.3 25.8 62.9 78.4 128 132 A T H < S+ 0 0 103 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.797 117.5 43.5 -77.6 -33.5 23.1 62.4 81.3 129 133 A A H < S+ 0 0 57 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.2 0.918 132.4 23.3 -73.0 -34.9 25.2 64.8 83.4 130 134 A H >< + 0 0 38 -4,-2.5 3,-1.3 -5,-0.2 -1,-0.2 -0.650 67.4 169.7-139.3 80.0 25.7 67.1 80.5 131 135 A P T 3 S+ 0 0 96 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.479 75.5 55.5 -76.1 -14.0 23.0 66.8 77.8 132 136 A T T 3 S+ 0 0 107 2,-0.1 2,-0.2 -61,-0.0 -5,-0.1 0.395 88.2 99.8 -96.3 -10.9 23.9 69.8 75.7 133 137 A Y < - 0 0 19 -3,-1.3 2,-0.3 -7,-0.2 -62,-0.2 -0.501 65.4-131.5 -81.5 153.3 27.5 68.8 75.1 134 138 A K E -d 71 0A 102 -64,-2.1 -62,-2.6 -2,-0.2 2,-0.6 -0.727 12.0-129.5-103.3 155.1 28.9 67.2 72.0 135 139 A V E -de 72 166A 0 30,-2.8 32,-1.9 -2,-0.3 2,-0.5 -0.870 18.2-170.3-106.8 115.6 31.1 64.1 71.8 136 140 A I E -de 73 167A 10 -64,-2.2 -62,-2.2 -2,-0.6 2,-0.4 -0.958 7.5-161.3-101.9 128.1 34.3 64.3 69.7 137 141 A V E +de 74 168A 0 30,-1.9 32,-2.6 -2,-0.5 2,-0.3 -0.885 21.9 163.0-106.5 136.7 36.1 60.9 69.1 138 142 A T E +de 75 169A 2 -64,-2.7 -62,-2.5 -2,-0.4 2,-0.3 -0.986 12.8 145.2-153.8 160.9 39.7 61.0 68.0 139 143 A G E -de 76 170A 0 30,-1.0 32,-2.0 -2,-0.3 2,-0.3 -0.954 31.2-119.3-179.5 164.1 43.0 59.2 67.6 140 144 A H E > S- e 0 171A 0 -64,-0.7 3,-2.2 -120,-0.3 -62,-0.4 -0.793 74.5 -20.1-109.5 157.3 46.2 58.7 65.6 141 145 A S T >> S+ 0 0 0 30,-0.9 3,-2.0 -2,-0.3 4,-0.6 -0.069 137.3 0.0 47.5-123.4 47.4 55.5 64.0 142 146 A L H >> S+ 0 0 34 -63,-0.3 4,-1.3 1,-0.3 3,-0.8 0.765 128.3 68.4 -63.4 -23.1 45.8 52.4 65.4 143 147 A G H <> S+ 0 0 0 -3,-2.2 4,-1.5 1,-0.2 -1,-0.3 0.641 91.4 62.9 -65.2 -21.1 43.9 54.7 67.7 144 148 A G H <> S+ 0 0 3 -3,-2.0 4,-1.7 -4,-0.2 -1,-0.2 0.726 98.5 52.7 -74.7 -29.7 42.1 55.9 64.5 145 149 A A H < - 0 0 4 -4,-1.5 3,-1.6 3,-0.1 -1,-0.1 -0.924 59.9-159.1-136.8 108.2 23.1 55.3 72.2 159 163 A P T 3 S+ 0 0 121 0, 0.0 -1,-0.1 0, 0.0 -5,-0.0 0.805 88.4 60.9 -55.8 -39.7 19.8 57.1 71.1 160 164 A R T 3 S+ 0 0 104 2,-0.0 2,-0.4 5,-0.0 -5,-0.1 0.542 89.3 83.4 -68.0 -12.5 21.0 60.6 72.1 161 165 A L < + 0 0 4 -3,-1.6 -3,-0.1 -7,-0.3 -27,-0.0 -0.795 50.9 132.0-102.8 135.0 24.0 60.6 69.7 162 166 A S S >> S- 0 0 37 -2,-0.4 4,-1.5 27,-0.0 3,-1.4 -0.908 74.6 -61.1-158.3-175.8 23.5 61.6 66.0 163 167 A P T 34 S+ 0 0 58 0, 0.0 -2,-0.0 0, 0.0 26,-0.0 0.554 125.2 65.7 -60.9 -3.6 25.1 63.9 63.4 164 168 A K T 34 S+ 0 0 174 1,-0.1 -3,-0.1 26,-0.1 3,-0.0 0.752 121.8 9.6 -87.6 -29.8 24.3 66.8 65.7 165 169 A N T <4 S+ 0 0 28 -3,-1.4 -30,-2.8 1,-0.1 2,-0.5 0.253 110.7 83.4-137.7 13.5 26.5 66.0 68.5 166 170 A L E < +e 135 0A 1 -4,-1.5 2,-0.3 -32,-0.2 -30,-0.2 -0.992 48.5 165.3-120.5 126.4 28.7 63.1 67.4 167 171 A S E -e 136 0A 30 -32,-1.9 -30,-1.9 -2,-0.5 2,-0.4 -0.952 18.2-156.9-128.8 154.0 31.8 63.9 65.4 168 172 A I E +ef 137 192A 0 23,-2.2 25,-1.5 -2,-0.3 2,-0.4 -0.998 11.3 178.1-136.6 133.6 34.9 61.7 64.5 169 173 A F E +ef 138 193A 12 -32,-2.6 -30,-1.0 -2,-0.4 2,-0.4 -1.000 2.2 176.2-133.1 129.2 38.4 62.9 63.7 170 174 A T E -ef 139 194A 6 23,-2.1 25,-2.4 -2,-0.4 2,-0.4 -0.988 15.6-164.4-131.9 147.8 41.5 60.8 62.9 171 175 A V E S+ef 140 195A 6 -32,-2.0 -30,-0.9 -2,-0.4 25,-0.2 -0.990 84.5 5.8-115.2 136.5 45.1 61.6 61.8 172 176 A G S S+ 0 0 0 23,-1.4 24,-0.1 -2,-0.4 -32,-0.1 0.562 88.0 170.2 75.7 8.2 47.2 58.6 60.4 173 177 A G - 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0 0 8 -4,-2.1 3,-1.7 -5,-0.2 -1,-0.1 -0.950 60.1-162.6-116.1 103.8 101.0 69.8 71.9 425 163 B P T 3 S+ 0 0 122 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.882 85.4 63.9 -58.9 -28.7 104.3 68.2 70.8 426 164 B R T 3 S+ 0 0 102 5,-0.0 2,-0.3 2,-0.0 -5,-0.1 0.662 87.5 82.1 -71.7 -17.7 103.1 64.8 72.0 427 165 B L < + 0 0 5 -3,-1.7 -3,-0.1 -7,-0.3 -27,-0.0 -0.757 50.5 136.0 -96.8 144.1 100.2 64.5 69.5 428 166 B S S >> S- 0 0 34 -2,-0.3 4,-1.7 27,-0.0 3,-1.6 -0.882 73.6 -67.0-159.1 178.5 100.8 63.3 66.0 429 167 B P T 34 S+ 0 0 61 0, 0.0 26,-0.0 0, 0.0 -2,-0.0 0.604 126.2 67.2 -51.0 -15.4 99.1 61.0 63.5 430 168 B K T 34 S+ 0 0 178 1,-0.1 -3,-0.1 26,-0.0 3,-0.1 0.792 121.2 11.0 -77.1 -31.5 100.1 58.1 65.8 431 169 B N T <4 S+ 0 0 32 -3,-1.6 -30,-2.7 1,-0.1 2,-0.4 0.331 111.5 77.7-132.2 3.7 97.8 59.3 68.6 432 170 B L E < +s 401 0F 3 -4,-1.7 2,-0.3 -32,-0.2 -30,-0.2 -0.975 49.1 166.4-125.4 130.0 95.4 62.0 67.4 433 171 B S E -s 402 0F 12 -32,-2.3 -30,-2.0 -2,-0.4 2,-0.4 -0.880 20.1-151.7-138.2 157.8 92.3 61.4 65.3 434 172 B I E +st 403 458F 0 23,-1.8 25,-2.0 -2,-0.3 2,-0.4 -0.995 12.7 174.3-139.6 130.7 89.2 63.4 64.2 435 173 B F E +st 404 459F 16 -32,-2.1 -30,-1.1 -2,-0.4 2,-0.3 -0.985 11.0 176.1-133.8 117.5 85.7 62.0 63.4 436 174 B T E -st 405 460F 5 23,-1.6 25,-2.6 -2,-0.4 2,-0.4 -0.951 15.4-157.2-125.0 146.5 82.8 64.5 62.6 437 175 B V E S-st 406 461F 3 -32,-2.4 -30,-2.0 -2,-0.3 -27,-0.2 -0.980 77.2 -7.5-116.6 133.5 79.2 63.9 61.5 438 176 B G S S+ 0 0 0 23,-2.2 24,-0.1 -2,-0.4 -1,-0.1 0.718 89.1 158.0 63.8 21.7 77.1 66.6 59.7 439 177 B G - 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0 0 7 -5,-0.5 -1,-0.3 1,-0.1 -23,-0.1 -0.554 56.9-113.4 -72.9 113.7 96.0 63.6 61.1 457 195 B P + 0 0 57 0, 0.0 -23,-1.8 0, 0.0 2,-0.3 -0.301 40.9 178.5 -56.8 130.6 93.1 61.0 60.2 458 196 B F E -t 434 0F 12 -25,-0.2 25,-2.4 2,-0.0 2,-0.6 -0.931 10.6-172.5-136.9 112.9 89.8 63.0 59.6 459 197 B Q E -tu 435 483F 40 -25,-2.0 -23,-1.6 -2,-0.3 2,-0.5 -0.874 5.1-165.9-107.5 101.8 86.6 61.1 58.6 460 198 B R E -tu 436 484F 8 23,-1.0 25,-2.7 -2,-0.6 2,-0.5 -0.779 7.7-164.3 -84.6 126.4 83.7 63.4 57.7 461 199 B T E -tu 437 485F 4 -25,-2.6 -23,-2.2 -2,-0.5 2,-0.4 -0.935 6.8-175.4-107.4 132.3 80.4 61.5 57.6 462 200 B V E - u 0 486F 0 23,-2.6 25,-2.4 -2,-0.5 2,-0.7 -0.997 17.2-138.4-125.1 139.1 77.4 63.1 55.9 463 201 B H E > - u 0 487F 16 -2,-0.4 3,-2.1 23,-0.2 25,-0.2 -0.853 48.3 -71.7-103.4 111.8 73.9 61.5 55.8 464 202 B K T 3 S- 0 0 76 23,-2.4 46,-0.1 -2,-0.7 25,-0.1 -0.135 112.5 -7.5 51.4-119.8 71.9 61.7 52.6 465 203 B R T 3 S+ 0 0 107 49,-0.1 50,-3.0 23,-0.1 -1,-0.3 0.146 81.8 158.0 -99.5 20.9 70.7 65.2 51.8 466 204 B D < - 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