==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 29-JUN-87 2TMN . COMPND 2 MOLECULE: THERMOLYSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS THERMOPROTEOLYTICUS; . AUTHOR D.E.TRONRUD,A.F.MONZINGO,B.W.MATTHEWS . 317 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12564.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 224 70.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 3.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 34 10.7 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 17 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 107 33.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.5 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 0 0 0 0 0 0 1 1 1 1 1 0 0 0 0 1 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 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 0 PARALLEL BRIDGES PER LADDER . 1 5 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 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 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 E I 0 0 88 0, 0.0 2,-0.6 0, 0.0 23,-0.0 0.000 360.0 360.0 360.0 134.4 33.4 41.0 -0.0 2 2 E T + 0 0 138 23,-0.1 2,-0.3 21,-0.1 21,-0.0 -0.875 360.0 98.6-103.3 123.2 33.2 44.9 0.6 3 3 E G S S- 0 0 42 -2,-0.6 2,-0.5 22,-0.0 22,-0.2 -0.896 70.4 -43.5-170.9-158.2 33.9 45.9 4.2 4 4 E T E -A 24 0A 79 20,-2.7 20,-3.3 -2,-0.3 2,-0.2 -0.801 48.9-126.2 -97.2 127.0 36.3 47.2 6.8 5 5 E S E +A 23 0A 66 -2,-0.5 18,-0.2 18,-0.2 2,-0.2 -0.526 45.0 152.0 -65.9 136.0 40.0 45.8 6.9 6 6 E T E -A 22 0A 40 16,-2.2 16,-1.9 -2,-0.2 2,-0.5 -0.810 41.0-108.8-149.3-173.4 40.9 44.6 10.4 7 7 E V E -A 21 0A 86 -2,-0.2 14,-0.2 14,-0.2 2,-0.2 -0.965 27.3-173.4-130.5 125.3 43.1 42.0 12.0 8 8 E G E -A 20 0A 4 12,-2.6 12,-2.5 -2,-0.5 2,-0.4 -0.476 15.8-134.3-104.9 179.5 42.0 38.8 13.7 9 9 E V E +Ab 19 61A 28 51,-1.6 53,-2.8 10,-0.3 2,-0.3 -0.981 29.7 157.0-133.9 147.9 44.1 36.2 15.7 10 10 E G E -Ab 18 62A 0 8,-2.7 8,-2.6 -2,-0.4 2,-0.4 -0.910 38.2-106.7-155.9-179.2 44.1 32.4 15.5 11 11 E R E -A 17 0A 106 51,-2.0 6,-0.2 -2,-0.3 60,-0.2 -0.977 33.0-141.5-120.2 134.6 46.0 29.2 16.1 12 12 E G > - 0 0 4 4,-2.7 3,-1.8 -2,-0.4 56,-0.2 -0.134 36.7 -84.9 -86.7-176.8 47.6 27.3 13.2 13 13 E V T 3 S+ 0 0 32 55,-0.6 122,-0.1 1,-0.3 55,-0.1 0.850 128.9 53.7 -54.0 -39.6 47.9 23.5 12.6 14 14 E L T 3 S- 0 0 82 54,-0.1 -1,-0.3 121,-0.1 121,-0.0 0.471 122.3-105.4 -78.1 -5.6 51.1 23.4 14.7 15 15 E G S < S+ 0 0 52 -3,-1.8 2,-0.3 1,-0.3 -2,-0.1 0.545 74.6 143.3 90.2 6.7 49.3 25.1 17.7 16 16 E D - 0 0 55 1,-0.0 -4,-2.7 -5,-0.0 2,-0.3 -0.642 48.4-127.2 -84.0 135.5 51.1 28.4 17.0 17 17 E Q E +A 11 0A 129 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.633 36.2 164.2 -86.7 134.4 49.3 31.7 17.6 18 18 E K E -A 10 0A 15 -8,-2.6 -8,-2.7 -2,-0.3 2,-0.3 -0.990 35.6-119.5-147.8 160.0 49.3 34.3 14.7 19 19 E N E -A 9 0A 106 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.3 -0.782 31.3-165.4 -96.4 140.5 47.5 37.5 13.6 20 20 E I E -A 8 0A 4 -12,-2.5 -12,-2.6 -2,-0.3 2,-0.5 -0.966 23.6-114.6-129.3 152.7 45.8 37.3 10.3 21 21 E N E +A 7 0A 42 -2,-0.3 -14,-0.2 -14,-0.2 2,-0.2 -0.682 45.9 168.3 -82.7 121.3 44.4 40.1 7.9 22 22 E T E -A 6 0A 2 -16,-1.9 -16,-2.2 -2,-0.5 2,-0.4 -0.692 29.0-127.4-126.6 177.6 40.5 39.8 7.7 23 23 E T E -AC 5 29A 0 6,-1.3 6,-2.9 -18,-0.2 2,-0.6 -1.000 17.2-142.4-132.6 131.3 37.5 42.0 6.4 24 24 E Y E +AC 4 28A 94 -20,-3.3 -20,-2.7 -2,-0.4 4,-0.2 -0.848 40.3 137.1-107.8 124.5 34.6 42.9 8.4 25 25 E S S S- 0 0 47 2,-2.6 2,-2.5 -2,-0.6 -23,-0.1 -0.621 93.4 -48.7-159.4 85.7 31.1 43.1 6.9 26 26 E T S S+ 0 0 123 -2,-0.2 2,-0.2 32,-0.0 -2,-0.0 -0.399 140.1 36.6 75.8 -58.7 28.5 41.5 9.3 27 27 E Y S S- 0 0 117 -2,-2.5 -2,-2.6 32,-0.0 2,-0.5 -0.688 95.7-110.5-107.5 169.9 30.8 38.6 9.7 28 28 E Y E -CD 24 57A 53 29,-2.9 29,-2.5 -2,-0.2 2,-0.3 -0.908 39.8-158.4-100.2 122.5 34.6 38.6 9.7 29 29 E Y E -CD 23 56A 40 -6,-2.9 2,-2.4 -2,-0.5 -6,-1.3 -0.769 28.0-115.9-104.0 151.6 36.0 37.1 6.4 30 30 E L S S+ 0 0 0 25,-2.3 11,-2.2 11,-0.3 2,-0.4 -0.522 72.8 128.2 -79.9 75.2 39.4 35.5 5.6 31 31 E Q E -E 40 0B 9 -2,-2.4 2,-0.7 9,-0.2 9,-0.2 -0.965 45.4-159.5-136.2 116.6 40.0 38.3 3.0 32 32 E D E > -E 39 0B 2 7,-2.8 7,-1.5 -2,-0.4 3,-0.5 -0.887 9.3-178.2-103.6 109.6 43.3 40.2 3.2 33 33 E N T 3 + 0 0 63 -2,-0.7 -1,-0.1 -11,-0.3 -28,-0.0 0.451 68.4 77.0 -86.7 -2.7 43.0 43.5 1.4 34 34 E T T 3 S+ 0 0 88 1,-0.1 2,-0.5 5,-0.1 -1,-0.2 0.574 83.0 67.1 -84.3 -12.9 46.6 44.6 2.1 35 35 E R S X S- 0 0 43 -3,-0.5 3,-2.6 4,-0.1 -1,-0.1 -0.942 110.4 -65.8-122.1 112.3 48.2 42.5 -0.5 36 36 E G T 3 S- 0 0 27 -2,-0.5 62,-0.1 1,-0.3 3,-0.1 -0.173 114.5 -18.3 53.1-136.0 47.7 43.1 -4.2 37 37 E D T 3 S- 0 0 110 60,-2.2 -1,-0.3 1,-0.2 62,-0.2 0.254 119.4 -78.2 -87.1 19.6 44.1 42.4 -5.2 38 38 E G < - 0 0 1 -3,-2.6 62,-2.1 60,-0.1 2,-0.5 -0.044 29.9-111.6 109.9 152.3 43.6 40.3 -1.9 39 39 E I E -Ef 32 100B 0 -7,-1.5 -7,-2.8 60,-0.2 2,-0.4 -0.996 36.0-168.4-119.7 126.2 44.2 36.9 -0.5 40 40 E F E -Ef 31 101B 21 60,-2.6 62,-2.0 -2,-0.5 2,-0.4 -0.984 8.0-162.8-123.5 123.6 41.0 34.9 -0.0 41 41 E T E - f 0 102B 0 -11,-2.2 14,-2.6 -2,-0.4 -11,-0.3 -0.933 12.2-164.0-115.7 132.2 40.6 31.6 1.9 42 42 E Y E -Gf 54 103B 28 60,-2.8 62,-2.2 -2,-0.4 2,-0.6 -0.823 21.1-126.7-118.7 153.2 37.6 29.3 1.4 43 43 E D E -Gf 53 104B 26 10,-2.6 10,-2.0 -2,-0.3 62,-0.2 -0.849 15.9-174.7 -93.4 113.8 35.9 26.4 3.2 44 44 E A > - 0 0 3 60,-2.6 3,-2.2 -2,-0.6 5,-0.3 0.569 29.6-142.9 -88.0 -3.9 35.5 23.4 0.9 45 45 E K T 3 - 0 0 105 59,-0.3 61,-0.1 1,-0.3 60,-0.1 0.797 62.9 -57.3 53.9 37.0 33.5 21.6 3.8 46 46 E Y T 3 S+ 0 0 110 59,-2.5 -1,-0.3 1,-0.3 2,-0.2 0.541 114.7 113.7 71.9 12.2 34.9 18.1 3.1 47 47 E R S < S- 0 0 180 -3,-2.2 60,-2.0 58,-0.3 -1,-0.3 -0.510 70.0-132.3-104.7 177.3 33.6 18.3 -0.5 48 48 E T S S+ 0 0 85 58,-0.2 2,-0.4 -2,-0.2 58,-0.1 0.278 71.4 111.2-111.0 3.8 35.4 18.4 -3.8 49 49 E T S S- 0 0 100 -5,-0.3 -2,-0.2 2,-0.1 58,-0.1 -0.697 71.8-102.5 -83.5 127.2 33.4 21.2 -5.3 50 50 E L S S- 0 0 56 -2,-0.4 -2,-0.1 1,-0.2 -6,-0.0 -0.852 80.9 -1.8-116.7 146.1 35.7 24.4 -5.6 51 51 E P S S- 0 0 46 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.990 79.1-165.7 -84.5 -14.7 36.2 27.0 -4.2 52 52 E G - 0 0 34 -8,-0.1 2,-0.4 -10,-0.1 -8,-0.2 -0.787 48.4 -25.7 102.7-152.9 33.6 26.4 -1.5 53 53 E S E -G 43 0B 48 -10,-2.0 -10,-2.6 -2,-0.3 -8,-0.1 -0.867 67.0-106.7-104.2 136.8 32.4 29.4 0.7 54 54 E L E -G 42 0B 33 -2,-0.4 2,-0.4 -12,-0.2 -12,-0.3 -0.319 55.9 -95.6 -59.3 136.8 34.5 32.4 1.5 55 55 E W - 0 0 12 -14,-2.6 -25,-2.3 -25,-0.3 2,-0.4 -0.467 49.2-173.1 -67.8 122.1 35.5 31.7 5.1 56 56 E A E +D 29 0A 46 -2,-0.4 2,-0.3 -27,-0.2 -27,-0.2 -0.889 7.0 178.6-117.2 135.6 33.2 33.6 7.6 57 57 E D E -D 28 0A 23 -29,-2.5 -29,-2.9 -2,-0.4 3,-0.2 -0.995 25.9-139.4-138.8 145.7 33.6 33.8 11.3 58 58 E A S S+ 0 0 73 -2,-0.3 -1,-0.1 -31,-0.2 -29,-0.1 0.818 94.4 22.2 -74.7 -33.9 31.5 35.6 13.9 59 59 E D S S- 0 0 91 2,-0.3 -1,-0.2 -31,-0.1 3,-0.1 0.311 94.8-113.5-121.1 9.8 34.1 37.1 16.2 60 60 E N S S+ 0 0 19 1,-0.2 -51,-1.6 -32,-0.2 2,-0.4 0.689 82.6 115.0 64.9 16.9 37.5 37.4 14.4 61 61 E Q E -b 9 0A 93 -53,-0.2 2,-0.3 -51,-0.0 -2,-0.3 -0.990 46.6-169.1-117.6 125.5 39.1 34.8 16.7 62 62 E F E +b 10 0A 0 -53,-2.8 -51,-2.0 -2,-0.4 9,-0.1 -0.546 40.2 125.6-118.6 66.5 40.1 31.5 15.0 63 63 E F + 0 0 70 -2,-0.3 2,-0.2 -53,-0.2 -1,-0.1 0.315 38.7 107.2-101.8 5.3 40.9 29.1 17.8 64 64 E A S >> S- 0 0 52 -3,-0.2 3,-1.8 1,-0.1 4,-1.3 -0.566 77.0-120.5 -82.1 150.0 38.7 26.1 16.9 65 65 E S T 34 S+ 0 0 113 1,-0.3 3,-0.3 -2,-0.2 -1,-0.1 0.891 116.5 56.5 -60.4 -32.3 40.4 23.0 15.5 66 66 E Y T 34 S+ 0 0 68 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.744 103.7 56.5 -66.3 -22.7 38.4 23.3 12.3 67 67 E D T X> S+ 0 0 17 -3,-1.8 4,-2.0 1,-0.1 3,-1.1 0.809 85.4 85.5 -73.0 -37.0 39.9 27.0 11.9 68 68 E A H 3X S+ 0 0 14 -4,-1.3 4,-2.2 -3,-0.3 -55,-0.6 0.779 88.2 44.2 -39.2 -57.6 43.6 25.8 12.0 69 69 E P H 3> S+ 0 0 4 0, 0.0 4,-2.1 0, 0.0 -1,-0.3 0.856 114.6 50.5 -63.2 -33.4 44.2 24.9 8.3 70 70 E A H <> S+ 0 0 0 -3,-1.1 4,-2.3 -4,-0.3 5,-0.2 0.894 108.7 52.5 -71.7 -40.1 42.4 28.1 7.1 71 71 E V H X S+ 0 0 0 -4,-2.0 4,-3.2 -60,-0.2 5,-0.2 0.975 115.1 41.0 -54.6 -51.3 44.5 30.3 9.4 72 72 E D H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 5,-0.3 0.894 113.6 50.8 -67.9 -41.6 47.8 28.8 8.1 73 73 E A H X S+ 0 0 0 -4,-2.1 4,-1.5 -5,-0.2 -1,-0.2 0.912 115.7 44.5 -63.0 -41.8 46.8 28.7 4.4 74 74 E H H X S+ 0 0 3 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.962 118.7 41.5 -67.4 -51.2 45.7 32.4 4.7 75 75 E Y H X S+ 0 0 90 -4,-3.2 4,-1.9 -5,-0.2 -2,-0.2 0.908 115.7 48.3 -64.9 -42.0 48.9 33.5 6.7 76 76 E Y H X S+ 0 0 7 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.794 106.8 55.8 -72.6 -26.5 51.4 31.5 4.7 77 77 E A H X S+ 0 0 0 -4,-1.5 4,-2.2 -5,-0.3 -1,-0.2 0.900 107.4 51.9 -69.0 -33.1 50.0 32.7 1.4 78 78 E G H X S+ 0 0 0 -4,-1.4 4,-2.5 2,-0.2 -2,-0.2 0.952 109.7 48.3 -63.3 -49.4 50.6 36.3 2.8 79 79 E V H X S+ 0 0 17 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.864 111.7 49.0 -55.8 -42.6 54.3 35.4 3.6 80 80 E T H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.873 109.3 52.2 -64.7 -43.4 54.8 33.9 0.1 81 81 E Y H X S+ 0 0 12 -4,-2.2 4,-2.1 1,-0.2 11,-0.2 0.931 113.0 47.4 -57.4 -45.5 53.3 37.1 -1.5 82 82 E D H X S+ 0 0 42 -4,-2.5 4,-2.7 2,-0.2 5,-0.3 0.895 107.4 53.1 -65.8 -38.5 55.7 39.1 0.5 83 83 E Y H X>S+ 0 0 11 -4,-2.0 4,-2.6 1,-0.2 5,-0.7 0.966 112.2 46.4 -62.4 -50.3 58.7 37.0 -0.3 84 84 E Y H X5S+ 0 0 4 -4,-2.2 6,-2.9 3,-0.2 4,-0.8 0.881 118.2 41.3 -57.6 -41.6 58.0 37.4 -4.1 85 85 E K H X5S+ 0 0 93 -4,-2.1 4,-1.2 4,-0.3 -1,-0.2 0.969 121.1 39.5 -72.4 -51.9 57.4 41.1 -3.9 86 86 E N H <5S+ 0 0 94 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.819 126.9 31.8 -68.1 -40.3 60.2 42.0 -1.5 87 87 E V H <5S+ 0 0 54 -4,-2.6 -3,-0.2 -5,-0.3 -1,-0.1 0.842 136.5 18.3 -89.7 -43.1 62.9 39.7 -2.8 88 88 E H H < - 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0 0 79 -2,-0.4 -9,-0.3 -9,-0.2 2,-0.2 -0.801 29.7-123.6 -85.5 126.9 82.0 26.1 -3.8 257 257 E G - 0 0 31 -2,-0.5 -12,-0.2 -11,-0.5 -11,-0.2 -0.524 23.7-172.0 -74.6 141.4 78.8 27.3 -2.3 258 258 E I - 0 0 27 -14,-3.0 4,-0.4 1,-0.2 -13,-0.2 0.365 45.7-119.4-106.6 -4.4 77.5 30.9 -3.2 259 259 E G > - 0 0 24 -14,-1.9 4,-1.6 -15,-0.6 -1,-0.2 -0.014 28.5 -66.1 88.9 168.3 74.6 30.9 -0.7 260 260 E R H > S+ 0 0 100 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.823 119.8 54.2 -60.9 -44.1 70.9 31.2 -0.8 261 261 E D H > S+ 0 0 122 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.913 111.8 44.6 -61.2 -49.4 70.2 34.6 -2.0 262 262 E K H > S+ 0 0 73 -4,-0.4 4,-3.2 2,-0.2 5,-0.2 0.874 110.7 56.0 -65.8 -37.7 72.3 34.2 -5.1 263 263 E L H X S+ 0 0 0 -4,-1.6 4,-2.6 2,-0.2 5,-0.3 0.964 110.4 44.9 -57.1 -52.4 70.7 30.8 -5.7 264 264 E G H X S+ 0 0 2 -4,-2.8 4,-2.4 1,-0.2 5,-0.3 0.917 113.7 51.1 -59.0 -44.6 67.2 32.5 -5.6 265 265 E K H X S+ 0 0 91 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.937 112.8 43.5 -61.8 -44.4 68.4 35.3 -7.9 266 266 E I H X S+ 0 0 1 -4,-3.2 4,-1.9 1,-0.2 -2,-0.2 0.920 116.3 46.9 -70.7 -37.5 69.9 33.0 -10.5 267 267 E F H X S+ 0 0 1 -4,-2.6 4,-3.3 -5,-0.2 5,-0.2 0.933 111.6 51.1 -65.3 -42.4 66.9 30.6 -10.5 268 268 E Y H X S+ 0 0 31 -4,-2.4 4,-2.6 -5,-0.3 5,-0.2 0.911 111.1 48.1 -60.2 -46.4 64.3 33.4 -10.7 269 269 E R H X>S+ 0 0 62 -4,-1.8 4,-2.0 -5,-0.3 5,-0.7 0.909 112.6 47.5 -62.3 -43.0 66.1 35.0 -13.6 270 270 E A H X>S+ 0 0 0 -4,-1.9 5,-3.1 3,-0.2 4,-1.8 0.966 114.8 48.8 -60.7 -49.2 66.3 31.5 -15.5 271 271 E L H <5S+ 0 0 1 -4,-3.3 -118,-0.2 1,-0.2 -2,-0.2 0.914 120.0 34.4 -51.6 -53.2 62.6 30.9 -14.7 272 272 E T H <5S+ 0 0 40 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.691 132.1 23.6 -85.4 -21.6 61.4 34.4 -15.9 273 273 E Q H <5S+ 0 0 123 -4,-2.0 -3,-0.2 -5,-0.2 -2,-0.2 0.710 128.2 22.6-116.6 -34.3 63.7 35.0 -18.8 274 274 E Y T < - 0 0 68 -2,-0.1 3,-1.2 -122,-0.1 -123,-0.1 -0.681 40.4 -88.4-122.8 174.6 60.3 27.7 -22.0 277 277 E P T 3 S+ 0 0 61 0, 0.0 -121,-2.8 0, 0.0 -123,-0.1 0.854 125.7 36.5 -54.1 -35.9 57.4 25.1 -21.8 278 278 E T T 3 S+ 0 0 98 -123,-0.2 -117,-0.1 -125,-0.1 -118,-0.1 0.163 80.3 144.0-108.9 14.9 59.6 22.3 -23.1 279 279 E S < - 0 0 4 -3,-1.2 -115,-0.2 -126,-0.1 2,-0.2 -0.243 32.6-157.0 -55.0 138.1 63.0 23.0 -21.5 280 280 E N > - 0 0 57 -120,-0.1 4,-2.2 -119,-0.1 5,-0.2 -0.503 36.0 -86.7-109.7-178.6 64.9 19.9 -20.5 281 281 E F H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.885 128.4 51.0 -58.9 -39.7 67.7 19.5 -17.9 282 282 E S H > S+ 0 0 48 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.895 110.7 50.2 -68.1 -34.4 70.5 20.4 -20.3 283 283 E Q H > S+ 0 0 89 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.911 106.9 53.5 -70.9 -35.7 68.5 23.5 -21.2 284 284 E L H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 5,-0.3 0.876 106.2 54.8 -63.3 -37.8 68.1 24.4 -17.5 285 285 E R H X S+ 0 0 31 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.956 110.4 44.6 -57.5 -52.3 71.8 24.1 -17.2 286 286 E A H X S+ 0 0 50 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.875 114.0 50.2 -56.7 -42.2 72.4 26.7 -20.0 287 287 E A H X S+ 0 0 7 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.906 111.6 47.2 -66.9 -44.4 69.7 29.0 -18.6 288 288 E A H X S+ 0 0 0 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.884 113.3 48.1 -66.6 -39.4 71.2 29.0 -15.1 289 289 E V H X S+ 0 0 26 -4,-2.1 4,-2.2 -5,-0.3 -2,-0.2 0.946 112.8 48.9 -65.0 -45.7 74.8 29.6 -16.5 290 290 E Q H X S+ 0 0 85 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.885 111.6 49.2 -62.7 -39.6 73.5 32.5 -18.6 291 291 E S H X S+ 0 0 0 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.860 112.1 46.9 -63.3 -45.7 71.6 34.0 -15.6 292 292 E A H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 5,-0.4 0.802 112.9 51.8 -66.8 -35.7 74.6 33.8 -13.4 293 293 E T H X S+ 0 0 37 -4,-2.2 4,-1.7 3,-0.2 -2,-0.2 0.881 110.2 48.4 -64.4 -44.3 76.7 35.4 -16.3 294 294 E D H < S+ 0 0 66 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.867 121.3 36.1 -59.1 -43.8 74.2 38.2 -16.7 295 295 E L H < S+ 0 0 71 -4,-1.7 -2,-0.2 -5,-0.1 -1,-0.2 0.834 134.7 14.8 -81.3 -42.2 74.2 38.9 -13.0 296 296 E Y H < S- 0 0 69 -4,-2.5 -3,-0.2 -5,-0.1 -2,-0.2 0.435 105.5-100.8-118.3 -10.6 77.8 38.2 -11.9 297 297 E G >< - 0 0 32 -4,-1.7 3,-2.8 -5,-0.4 6,-0.4 0.198 35.5 -86.0 94.3 142.2 80.0 38.1 -15.1 298 298 E S T 3 S+ 0 0 82 1,-0.3 -1,-0.1 -5,-0.2 -5,-0.1 0.719 126.7 47.5 -56.8 -19.7 81.4 35.2 -17.0 299 299 E T T 3 S+ 0 0 139 -3,-0.1 -1,-0.3 -6,-0.1 -2,-0.1 0.198 86.5 125.0-110.3 13.8 84.4 34.9 -15.0 300 300 E S S <> S- 0 0 16 -3,-2.8 4,-1.6 1,-0.1 -3,-0.1 -0.279 70.4-126.2 -69.5 159.2 82.5 35.0 -11.7 301 301 E Q H > S+ 0 0 92 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.776 112.7 64.2 -67.9 -31.8 82.8 32.3 -9.0 302 302 E E H > S+ 0 0 27 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.947 103.6 43.3 -58.6 -49.3 79.0 32.3 -9.3 303 303 E V H > S+ 0 0 2 -6,-0.4 4,-2.0 -11,-0.2 -1,-0.2 0.917 113.1 53.5 -63.1 -41.6 79.2 31.1 -12.8 304 304 E A H X S+ 0 0 34 -4,-1.6 4,-1.7 1,-0.2 -2,-0.2 0.931 108.3 49.1 -61.2 -47.3 81.9 28.6 -11.8 305 305 E S H X S+ 0 0 0 -4,-3.1 4,-2.5 1,-0.2 -1,-0.2 0.829 107.6 54.9 -60.5 -38.5 79.8 27.1 -9.0 306 306 E V H X S+ 0 0 0 -4,-1.9 4,-2.2 -5,-0.2 5,-0.2 0.950 109.6 46.3 -59.7 -47.5 76.7 26.7 -11.3 307 307 E K H X S+ 0 0 93 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.916 114.3 48.7 -59.7 -40.9 78.8 24.6 -13.8 308 308 E Q H X S+ 0 0 54 -4,-1.7 4,-2.9 2,-0.2 -1,-0.2 0.920 108.5 52.4 -63.2 -55.6 80.3 22.5 -11.0 309 309 E A H X S+ 0 0 0 -4,-2.5 4,-1.5 2,-0.2 -2,-0.2 0.933 113.6 43.9 -45.5 -55.6 76.9 21.8 -9.4 310 310 E F H <>S+ 0 0 0 -4,-2.2 5,-2.3 1,-0.2 4,-0.3 0.909 113.4 50.1 -65.9 -36.2 75.5 20.6 -12.8 311 311 E D H ><5S+ 0 0 72 -4,-2.1 3,-1.3 -5,-0.2 -1,-0.2 0.915 105.6 59.6 -65.4 -37.8 78.6 18.5 -13.6 312 312 E A H 3<5S+ 0 0 1 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.882 110.2 39.7 -60.5 -34.1 78.3 17.0 -10.1 313 313 E V T 3<5S- 0 0 0 -4,-1.5 -96,-3.0 2,-0.1 -1,-0.3 0.310 119.5-105.7 -96.5 10.1 74.8 15.6 -10.9 314 314 E G T < 5 + 0 0 22 -3,-1.3 2,-0.8 -4,-0.3 -3,-0.2 0.676 69.8 145.4 79.5 17.4 75.6 14.6 -14.3 315 315 E V < 0 0 4 -5,-2.3 -1,-0.2 -6,-0.2 -2,-0.1 -0.840 360.0 360.0 -99.6 102.8 73.8 17.3 -16.2 316 316 E K 0 0 148 -2,-0.8 -5,-0.1 -3,-0.1 -1,-0.1 -0.629 360.0 360.0 75.7 360.0 75.9 17.9 -19.1 317 ! 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 0.0 318 322 E X 0 0 41 0, 0.0 -204,-0.1 0, 0.0 -206,-0.1 0.000 360.0 360.0 360.0 360.0 52.8 18.3 -3.7