==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 12-APR-02 1GXW . COMPND 2 MOLECULE: THERMOLYSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS THERMOPROTEOLYTICUS; . AUTHOR J.F.GAUCHER,M.SELKTI,T.PRANGE,A.TOMAS . 318 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12521.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 225 70.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 4.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 35 11.0 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 . 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 . 21 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 105 33.0 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 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 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 1 1 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 A I 0 0 97 0, 0.0 2,-0.6 0, 0.0 23,-0.0 0.000 360.0 360.0 360.0 140.8 8.3 51.9 -0.2 2 2 A T + 0 0 138 21,-0.0 2,-0.2 23,-0.0 21,-0.0 -0.845 360.0 107.9 -94.8 120.3 6.3 55.0 0.4 3 3 A G - 0 0 36 -2,-0.6 2,-0.5 23,-0.0 22,-0.2 -0.858 67.7 -53.2-164.9-159.8 6.5 56.1 4.1 4 4 A T E -A 24 0A 96 20,-2.6 20,-3.1 -2,-0.2 2,-0.2 -0.871 48.5-126.4-103.9 124.9 7.8 58.4 6.7 5 5 A S E +A 23 0A 69 -2,-0.5 2,-0.3 18,-0.2 18,-0.2 -0.440 44.3 151.7 -68.1 134.8 11.5 59.1 6.9 6 6 A T E -A 22 0A 51 16,-2.5 16,-2.7 -2,-0.2 2,-0.5 -0.885 40.8-106.3-151.0-179.0 13.0 58.5 10.3 7 7 A V E -A 21 0A 77 -2,-0.3 14,-0.2 14,-0.2 2,-0.2 -0.975 28.3-174.2-124.1 128.7 16.2 57.4 12.0 8 8 A G E -A 20 0A 2 12,-3.3 12,-2.6 -2,-0.5 2,-0.4 -0.574 15.5-133.7-109.6 176.4 16.9 54.1 13.7 9 9 A V E +Ab 19 61A 32 51,-1.5 53,-3.3 10,-0.3 2,-0.3 -0.982 31.5 148.4-134.0 143.8 19.8 52.9 15.7 10 10 A G E -Ab 18 62A 0 8,-2.6 8,-2.3 -2,-0.4 2,-0.4 -0.871 39.8-101.7-155.3-170.0 21.8 49.7 15.5 11 11 A R E -A 17 0A 110 51,-2.0 60,-0.3 -2,-0.3 6,-0.2 -0.991 31.3-141.7-129.9 133.4 25.0 47.9 16.0 12 12 A G > - 0 0 4 4,-2.9 3,-2.0 -2,-0.4 56,-0.2 -0.145 39.2 -81.7 -84.6-175.0 27.4 46.9 13.1 13 13 A V T 3 S+ 0 0 32 55,-0.5 55,-0.1 1,-0.3 122,-0.1 0.862 129.2 50.2 -55.3 -40.1 29.5 43.8 12.5 14 14 A L T 3 S- 0 0 87 121,-0.1 -1,-0.3 54,-0.1 3,-0.1 0.301 121.2-104.8 -85.8 11.4 32.2 45.1 14.8 15 15 A G S < S+ 0 0 44 -3,-2.0 2,-0.3 1,-0.3 -2,-0.1 0.544 74.1 140.7 80.9 6.7 29.8 45.9 17.6 16 16 A D - 0 0 57 1,-0.0 -4,-2.9 -5,-0.0 2,-0.3 -0.631 49.0-127.7 -85.2 141.4 29.9 49.6 17.1 17 17 A Q E +A 11 0A 123 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.704 35.6 165.2 -90.3 138.5 26.6 51.5 17.5 18 18 A K E -A 10 0A 16 -8,-2.3 -8,-2.6 -2,-0.3 2,-0.3 -0.988 35.0-115.1-149.9 157.6 25.4 53.8 14.8 19 19 A N E -A 9 0A 104 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.3 -0.695 31.7-166.9 -91.3 145.7 22.3 55.7 13.6 20 20 A I E -A 8 0A 3 -12,-2.6 -12,-3.3 -2,-0.3 2,-0.5 -0.991 24.2-115.0-136.7 145.6 20.8 54.7 10.3 21 21 A N E +A 7 0A 40 -2,-0.4 -14,-0.2 -14,-0.2 2,-0.2 -0.659 44.7 169.2 -80.2 123.8 18.2 56.4 8.0 22 22 A T E -A 6 0A 1 -16,-2.7 -16,-2.5 -2,-0.5 2,-0.4 -0.699 29.4-126.8-126.7 178.0 15.1 54.3 7.8 23 23 A T E -AC 5 29A 0 6,-2.1 6,-3.4 -18,-0.2 2,-0.5 -1.000 19.1-144.1-132.3 133.0 11.5 54.6 6.5 24 24 A Y E +AC 4 28A 98 -20,-3.1 -20,-2.6 -2,-0.4 4,-0.2 -0.853 39.2 136.4-106.6 129.4 8.4 53.9 8.5 25 25 A S S S- 0 0 47 2,-2.8 2,-2.3 -2,-0.5 -23,-0.0 -0.509 95.0 -47.3-167.0 82.9 5.2 52.3 7.1 26 26 A T S S+ 0 0 114 -2,-0.1 2,-0.2 32,-0.0 -2,-0.1 -0.396 140.1 39.0 78.5 -57.5 3.8 49.6 9.5 27 27 A Y S S- 0 0 114 -2,-2.3 -2,-2.8 32,-0.0 2,-0.6 -0.662 93.5-111.8-110.5 169.8 7.4 48.3 9.7 28 28 A Y E -CD 24 57A 54 29,-3.9 29,-2.2 -2,-0.2 2,-0.3 -0.933 38.8-160.5-104.8 119.0 10.7 50.2 9.8 29 29 A Y E -CD 23 56A 45 -6,-3.4 2,-2.4 -2,-0.6 -6,-2.1 -0.771 28.1-117.6-104.6 146.6 12.5 49.6 6.5 30 30 A L + 0 0 0 25,-2.1 11,-2.2 -2,-0.3 2,-0.4 -0.552 69.8 131.4 -79.5 76.6 16.1 50.0 5.7 31 31 A Q E -E 40 0B 8 -2,-2.4 2,-0.8 9,-0.2 9,-0.2 -0.963 44.1-158.2-133.7 112.9 15.3 52.6 3.1 32 32 A D E +E 39 0B 2 7,-3.1 7,-1.7 -2,-0.4 3,-0.5 -0.844 13.4 176.8 -96.2 110.2 17.3 55.8 3.3 33 33 A N + 0 0 60 -2,-0.8 -1,-0.1 -11,-0.3 5,-0.1 0.464 66.1 79.2 -91.9 -1.6 15.4 58.6 1.5 34 34 A T S S+ 0 0 85 1,-0.1 2,-0.5 5,-0.1 -1,-0.2 0.547 85.6 63.5 -83.6 -6.7 18.0 61.4 2.3 35 35 A R S > S- 0 0 47 -3,-0.5 3,-2.2 1,-0.1 -1,-0.1 -0.939 111.7 -63.2-125.7 112.0 20.4 60.4 -0.4 36 36 A G T 3 S- 0 0 28 -2,-0.5 62,-0.1 1,-0.3 3,-0.1 -0.148 112.0 -21.1 52.2-143.5 19.5 60.6 -4.1 37 37 A D T 3 S- 0 0 110 60,-1.8 -1,-0.3 1,-0.3 62,-0.2 0.287 120.2 -83.2 -80.0 13.1 16.6 58.3 -5.1 38 38 A G < - 0 0 2 -3,-2.2 62,-2.7 60,-0.2 2,-0.5 -0.114 26.9-104.2 110.4 155.6 17.4 56.3 -2.1 39 39 A I E -Ef 32 100B 0 -7,-1.7 -7,-3.1 60,-0.2 2,-0.4 -0.992 36.4-170.6-121.8 120.1 19.6 53.6 -0.5 40 40 A F E -Ef 31 101B 20 60,-3.3 62,-1.9 -2,-0.5 2,-0.5 -0.955 7.0-163.3-117.6 130.1 17.8 50.3 -0.1 41 41 A T E - f 0 102B 0 -11,-2.2 14,-2.5 -2,-0.4 -11,-0.3 -0.958 11.9-166.3-117.6 128.5 19.1 47.3 1.9 42 42 A Y E -Gf 54 103B 31 60,-3.8 62,-2.3 -2,-0.5 2,-0.6 -0.750 20.6-128.5-113.6 158.6 17.7 43.8 1.4 43 43 A D E -Gf 53 104B 19 10,-2.8 10,-2.2 -2,-0.3 62,-0.2 -0.922 13.2-171.3-104.9 119.3 17.8 40.5 3.2 44 44 A A > - 0 0 4 60,-2.7 3,-2.2 -2,-0.6 5,-0.3 0.468 31.4-138.7 -87.7 -2.6 18.8 37.6 0.9 45 45 A K T 3 - 0 0 110 59,-0.3 61,-0.1 1,-0.3 60,-0.1 0.811 62.0 -58.5 49.8 41.9 18.0 35.1 3.7 46 46 A Y T 3 S+ 0 0 109 59,-2.6 -1,-0.3 1,-0.3 2,-0.2 0.599 114.7 113.2 67.8 11.5 21.0 32.9 3.1 47 47 A R S < S- 0 0 169 -3,-2.2 60,-2.6 58,-0.4 -1,-0.3 -0.563 70.5-130.1-107.4 175.8 19.8 32.2 -0.4 48 48 A T S S+ 0 0 84 58,-0.2 2,-0.3 -2,-0.2 -3,-0.1 0.412 72.5 106.8-105.8 0.1 21.3 33.2 -3.8 49 49 A T S S- 0 0 92 -5,-0.3 -2,-0.2 2,-0.0 58,-0.1 -0.649 72.4 -97.2 -81.1 135.0 18.1 34.7 -5.4 50 50 A L S S- 0 0 59 -2,-0.3 -2,-0.1 1,-0.2 71,-0.0 -0.833 79.6 -4.3-117.8 154.6 18.4 38.5 -5.6 51 51 A P S S- 0 0 46 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.977 78.3-167.7 -82.1 -18.3 17.6 41.0 -4.3 52 52 A G - 0 0 35 -8,-0.1 2,-0.4 -10,-0.1 -8,-0.2 -0.842 46.2 -25.0 107.4-146.4 15.6 39.3 -1.6 53 53 A S E -G 43 0B 48 -10,-2.2 -10,-2.8 -2,-0.3 -8,-0.1 -0.895 65.9-107.7-110.7 134.0 13.2 41.2 0.7 54 54 A L E -G 42 0B 31 -2,-0.4 2,-0.3 -12,-0.2 -12,-0.3 -0.374 54.9 -95.3 -55.3 130.1 13.6 44.9 1.6 55 55 A W - 0 0 10 -14,-2.5 -25,-2.1 -25,-0.2 2,-0.4 -0.333 48.9-169.6 -57.4 113.6 14.8 44.8 5.2 56 56 A A E -D 29 0A 48 -2,-0.3 2,-0.4 -27,-0.2 -27,-0.2 -0.874 6.5-178.7-109.1 137.7 11.8 45.2 7.5 57 57 A D E -D 28 0A 21 -29,-2.2 -29,-3.9 -2,-0.4 3,-0.1 -0.999 23.3-145.2-138.6 138.6 12.1 45.7 11.2 58 58 A A S S+ 0 0 72 -2,-0.4 -1,-0.1 -31,-0.2 -29,-0.1 0.832 93.9 22.1 -74.4 -35.1 9.3 46.1 13.8 59 59 A D S S- 0 0 91 2,-0.2 -1,-0.2 -31,-0.1 3,-0.1 0.290 95.0-116.3-121.1 13.9 10.8 48.6 16.2 60 60 A N S S+ 0 0 16 1,-0.2 -51,-1.5 -32,-0.2 2,-0.5 0.713 81.0 117.4 61.7 19.8 13.5 50.6 14.3 61 61 A Q E -b 9 0A 104 -53,-0.2 2,-0.6 -33,-0.1 -2,-0.2 -0.977 46.3-168.4-118.5 119.0 16.2 49.1 16.7 62 62 A F E +b 10 0A 0 -53,-3.3 -51,-2.0 -2,-0.5 9,-0.1 -0.479 41.3 123.7-111.9 67.5 18.8 47.0 15.0 63 63 A F + 0 0 62 -2,-0.6 -1,-0.2 -53,-0.2 2,-0.2 0.393 37.8 111.1-102.5 1.3 20.7 45.2 17.7 64 64 A A S >> S- 0 0 50 -3,-0.2 4,-1.2 1,-0.1 3,-1.1 -0.503 74.6-125.2 -75.4 146.2 20.2 41.5 16.7 65 65 A S T 34 S+ 0 0 113 1,-0.3 3,-0.3 2,-0.2 -1,-0.1 0.863 114.5 59.3 -59.6 -31.7 23.4 39.8 15.5 66 66 A Y T 34 S+ 0 0 70 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.821 103.1 52.9 -64.3 -30.3 21.3 38.9 12.4 67 67 A D T X> S+ 0 0 16 -3,-1.1 4,-2.0 1,-0.2 3,-1.2 0.771 85.5 88.1 -74.3 -30.8 20.9 42.7 11.8 68 68 A A H 3X S+ 0 0 13 -4,-1.2 4,-2.0 -3,-0.3 -55,-0.5 0.816 86.0 46.9 -39.5 -56.9 24.6 43.6 12.0 69 69 A P H 3> S+ 0 0 3 0, 0.0 4,-2.2 0, 0.0 -1,-0.3 0.837 113.2 51.7 -60.6 -31.1 25.6 43.1 8.3 70 70 A A H <> S+ 0 0 0 -3,-1.2 4,-2.5 -4,-0.3 5,-0.3 0.901 105.9 53.6 -71.5 -42.3 22.5 45.0 7.2 71 71 A V H X S+ 0 0 0 -4,-2.0 4,-2.7 -60,-0.3 5,-0.2 0.949 114.8 40.8 -56.5 -50.9 23.3 48.0 9.5 72 72 A D H X S+ 0 0 0 -4,-2.0 4,-3.3 2,-0.2 5,-0.4 0.897 113.4 51.4 -67.0 -43.4 26.8 48.3 8.0 73 73 A A H X S+ 0 0 0 -4,-2.2 4,-1.7 -5,-0.2 -1,-0.2 0.952 116.5 42.4 -56.7 -49.3 25.8 47.7 4.4 74 74 A H H X S+ 0 0 3 -4,-2.5 4,-1.2 2,-0.2 -2,-0.2 0.912 119.5 42.6 -63.2 -48.0 23.2 50.4 4.7 75 75 A Y H X S+ 0 0 91 -4,-2.7 4,-1.9 -5,-0.3 -2,-0.2 0.920 115.0 47.3 -69.3 -46.7 25.3 52.8 6.6 76 76 A Y H X S+ 0 0 5 -4,-3.3 4,-2.4 1,-0.2 -1,-0.2 0.806 107.5 56.6 -69.1 -27.7 28.5 52.4 4.6 77 77 A A H X S+ 0 0 0 -4,-1.7 4,-2.1 -5,-0.4 -1,-0.2 0.891 107.7 51.4 -66.8 -36.8 26.7 52.7 1.3 78 78 A G H X S+ 0 0 1 -4,-1.2 4,-2.2 2,-0.2 -2,-0.2 0.922 109.7 47.2 -64.2 -44.6 25.5 56.1 2.7 79 79 A V H X S+ 0 0 16 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.913 111.7 50.8 -63.1 -42.9 29.0 57.2 3.6 80 80 A T H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.889 108.8 51.7 -62.9 -38.2 30.3 56.2 0.2 81 81 A Y H X S+ 0 0 8 -4,-2.1 4,-2.2 1,-0.2 11,-0.3 0.928 110.7 48.9 -62.8 -43.7 27.5 58.1 -1.5 82 82 A D H X S+ 0 0 36 -4,-2.2 4,-3.2 2,-0.2 5,-0.4 0.888 107.3 55.4 -61.9 -42.9 28.4 61.2 0.6 83 83 A Y H X>S+ 0 0 11 -4,-2.6 4,-2.8 1,-0.2 5,-0.7 0.971 111.2 43.2 -53.7 -57.4 32.1 60.8 -0.3 84 84 A Y H X5S+ 0 0 4 -4,-2.2 6,-2.6 3,-0.2 4,-0.9 0.852 118.2 45.3 -58.8 -38.8 31.3 60.9 -4.1 85 85 A K H X5S+ 0 0 94 -4,-2.2 4,-1.0 4,-0.3 -2,-0.2 0.973 120.4 36.1 -71.3 -53.5 28.8 63.7 -3.7 86 86 A N H <5S+ 0 0 102 -4,-3.2 -2,-0.2 -5,-0.2 -3,-0.2 0.828 128.4 32.1 -71.0 -34.0 30.8 66.0 -1.4 87 87 A V H <5S+ 0 0 54 -4,-2.8 -3,-0.2 -5,-0.4 -1,-0.1 0.860 135.1 20.1 -93.1 -40.0 34.3 65.3 -2.8 88 88 A H H < - 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0 0 27 -5,-1.8 -1,-0.3 -6,-0.1 -2,-0.2 -0.714 61.1-100.7 -91.1 144.6 51.0 40.5 -5.3 214 214 A P - 0 0 9 0, 0.0 25,-0.2 0, 0.0 3,-0.1 -0.279 31.1-178.0 -61.7 140.3 53.3 42.2 -7.9 215 215 A D S S+ 0 0 15 1,-0.1 2,-0.3 -7,-0.1 3,-0.0 0.078 71.3 49.9-124.2 16.5 54.5 45.7 -7.0 216 216 A H S > S- 0 0 35 1,-0.1 3,-2.3 98,-0.1 98,-0.2 -0.974 82.7-121.5-156.2 142.2 56.3 46.1 -10.3 217 217 A Y G > S+ 0 0 61 96,-3.0 3,-1.5 -2,-0.3 97,-0.1 0.800 110.8 63.8 -54.7 -31.5 55.4 45.7 -13.9 218 218 A S G 3 S+ 0 0 85 1,-0.3 -1,-0.3 95,-0.1 96,-0.1 0.701 103.3 49.1 -67.3 -18.0 58.1 43.1 -14.4 219 219 A K G < S+ 0 0 121 -3,-2.3 -1,-0.3 2,-0.1 -2,-0.2 0.222 81.3 137.6-106.8 15.9 56.4 40.8 -11.9 220 220 A R < - 0 0 97 -3,-1.5 2,-0.4 -4,-0.1 9,-0.1 -0.283 58.9-113.7 -63.7 147.5 53.0 41.0 -13.4 221 221 A Y - 0 0 59 8,-0.2 12,-0.1 1,-0.1 -1,-0.1 -0.696 31.1-179.5 -83.5 127.6 51.0 37.8 -13.7 222 222 A T + 0 0 116 -2,-0.4 -1,-0.1 -63,-0.0 -2,-0.1 0.367 45.8 102.7-110.7 3.4 50.4 36.7 -17.3 223 223 A G S S- 0 0 27 1,-0.1 -2,-0.0 6,-0.0 0, 0.0 0.174 78.9-111.3 -71.5-163.6 48.4 33.6 -16.8 224 224 A T S >> S+ 0 0 130 4,-0.1 3,-0.7 3,-0.1 4,-0.6 0.476 76.1 114.2-111.1 -6.9 44.6 33.1 -17.2 225 225 A Q H >> S+ 0 0 139 1,-0.2 4,-2.8 2,-0.2 3,-1.0 -0.264 80.5 17.2 -62.5 152.8 43.7 32.6 -13.6 226 226 A D H 3> S- 0 0 47 1,-0.3 4,-2.5 2,-0.2 5,-0.3 0.860 139.1 -58.4 51.6 43.4 41.5 35.3 -12.0 227 227 A N H <4 S- 0 0 99 -3,-0.7 -68,-2.7 1,-0.2 -1,-0.3 0.861 114.3 -37.1 54.5 41.6 40.5 36.6 -15.4 228 228 A G H << S- 0 0 3 -3,-1.0 -2,-0.2 -4,-0.6 -1,-0.2 0.841 115.0 -57.4 81.1 33.5 44.1 37.2 -16.2 229 229 A G H >X S+ 0 0 0 -4,-2.8 4,-2.6 3,-0.1 3,-0.7 0.836 75.5 161.2 68.1 40.3 45.0 38.3 -12.7 230 230 A V T 3< S+ 0 0 3 -4,-2.5 4,-0.2 1,-0.3 -64,-0.2 0.834 83.3 37.3 -61.6 -32.8 42.6 41.2 -12.2 231 231 A H T 34 S+ 0 0 29 -5,-0.3 -1,-0.3 2,-0.1 4,-0.1 0.493 120.8 50.5 -93.9 -5.2 43.0 41.1 -8.4 232 232 A I T X4 S+ 0 0 41 -3,-0.7 3,-1.7 -6,-0.2 -2,-0.2 0.904 111.0 39.7 -93.6 -60.1 46.7 40.2 -8.7 233 233 A N T >X S+ 0 0 7 -4,-2.6 3,-1.1 1,-0.3 4,-0.8 0.544 95.1 83.5 -69.9 -7.7 48.2 42.8 -11.1 234 234 A S H 3> S+ 0 0 0 -5,-0.4 4,-2.9 1,-0.3 -1,-0.3 0.756 77.9 72.5 -64.3 -24.4 46.0 45.5 -9.4 235 235 A G H <> S+ 0 0 2 -3,-1.7 4,-2.2 1,-0.2 -1,-0.3 0.843 89.5 56.9 -60.2 -33.3 48.9 45.6 -6.9 236 236 A I H <> S+ 0 0 0 -3,-1.1 4,-1.6 2,-0.2 -1,-0.2 0.936 113.1 39.6 -63.6 -45.7 51.1 47.3 -9.5 237 237 A I H X S+ 0 0 0 -4,-0.8 4,-2.4 2,-0.2 -2,-0.2 0.848 113.0 55.0 -72.4 -37.6 48.5 50.1 -9.8 238 238 A N H X S+ 0 0 1 -4,-2.9 4,-2.3 2,-0.2 -1,-0.2 0.893 107.7 50.6 -62.7 -38.5 47.8 50.2 -6.1 239 239 A K H X S+ 0 0 21 -4,-2.2 4,-2.6 -5,-0.2 -2,-0.2 0.933 109.3 50.7 -65.2 -43.8 51.5 50.7 -5.4 240 240 A A H X S+ 0 0 0 -4,-1.6 4,-2.7 1,-0.2 -2,-0.2 0.927 111.3 48.0 -58.5 -46.1 51.7 53.6 -7.8 241 241 A A H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.886 110.9 50.8 -63.2 -40.7 48.7 55.3 -6.2 242 242 A Y H X>S+ 0 0 54 -4,-2.3 4,-3.3 -37,-0.2 5,-0.6 0.924 111.8 48.0 -61.9 -45.2 50.1 54.8 -2.8 243 243 A L H X5S+ 0 0 3 -4,-2.6 4,-2.2 3,-0.2 -2,-0.2 0.926 108.6 53.7 -63.3 -43.9 53.4 56.3 -3.9 244 244 A I H <5S+ 0 0 0 -4,-2.7 14,-3.0 -5,-0.2 15,-0.3 0.905 119.0 35.6 -57.3 -42.0 51.7 59.3 -5.6 245 245 A S H <5S+ 0 0 4 -4,-1.9 14,-2.3 12,-0.3 -2,-0.2 0.936 135.1 19.9 -77.9 -49.4 49.9 60.1 -2.4 246 246 A Q H <5S- 0 0 83 -4,-3.3 11,-0.5 -5,-0.2 -3,-0.2 0.715 93.6-145.6 -96.8 -25.4 52.5 59.2 0.3 247 247 A G E << +L 256 0E 9 -4,-2.2 2,-0.2 -5,-0.6 9,-0.2 -0.189 31.7 145.7 83.0 178.4 55.7 59.2 -1.7 248 248 A G E -L 255 0E 36 7,-2.5 7,-2.9 -4,-0.1 2,-0.5 -0.766 52.1 -77.7 138.1 175.8 58.7 57.0 -1.1 249 249 A T E -L 254 0E 93 5,-0.2 2,-0.5 -2,-0.2 5,-0.2 -0.965 43.0-179.3-115.3 120.0 61.5 55.3 -3.0 250 250 A H E > S-L 253 0E 19 3,-2.6 3,-1.9 -2,-0.5 -2,-0.0 -0.981 71.1 -14.4-123.8 121.7 60.5 52.1 -4.8 251 251 A Y T 3 S- 0 0 109 -2,-0.5 -1,-0.2 1,-0.3 3,-0.1 0.861 130.5 -51.6 55.2 39.8 63.0 50.1 -6.8 252 252 A G T 3 S+ 0 0 67 1,-0.2 2,-0.6 -3,-0.1 -1,-0.3 0.469 114.0 118.3 79.9 -0.2 65.5 53.0 -6.6 253 253 A V E < -L 250 0E 35 -3,-1.9 -3,-2.6 59,-0.1 2,-0.4 -0.896 54.8-145.6-104.4 124.8 62.9 55.5 -7.9 254 254 A S E -L 249 0E 68 -2,-0.6 2,-0.4 -5,-0.2 -5,-0.2 -0.725 14.3-170.7 -92.6 134.8 62.1 58.4 -5.6 255 255 A V E -L 248 0E 8 -7,-2.9 -7,-2.5 -2,-0.4 2,-0.6 -0.984 17.3-142.4-127.3 129.5 58.6 59.8 -5.5 256 256 A V E -L 247 0E 84 -2,-0.4 -9,-0.3 -9,-0.2 53,-0.1 -0.805 29.2-128.9 -88.9 119.8 57.5 63.0 -3.7 257 257 A G - 0 0 30 -2,-0.6 -12,-0.3 -11,-0.5 -11,-0.2 -0.375 20.6-169.2 -69.5 148.6 54.0 62.3 -2.3 258 258 A I - 0 0 23 -14,-3.0 4,-0.4 1,-0.2 -13,-0.2 0.345 46.2-102.1-117.8 2.9 51.2 64.9 -3.1 259 259 A G > - 0 0 24 -14,-2.3 4,-1.6 -15,-0.3 -1,-0.2 0.070 29.0 -82.9 95.4 156.4 48.5 63.6 -0.7 260 260 A R H > S+ 0 0 87 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.848 119.7 60.9 -63.7 -39.5 45.3 61.6 -0.8 261 261 A D H > S+ 0 0 132 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.930 110.0 39.0 -55.4 -52.6 43.2 64.6 -1.9 262 262 A K H > S+ 0 0 74 -4,-0.4 4,-2.9 2,-0.2 -1,-0.2 0.824 112.1 58.7 -69.5 -32.6 45.1 65.2 -5.1 263 263 A L H X S+ 0 0 0 -4,-1.6 4,-2.5 2,-0.2 5,-0.2 0.933 108.9 45.6 -60.5 -46.6 45.4 61.5 -5.7 264 264 A G H X S+ 0 0 3 -4,-2.7 4,-2.6 2,-0.2 5,-0.3 0.918 113.0 49.0 -63.4 -45.3 41.6 61.2 -5.6 265 265 A K H X S+ 0 0 101 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.939 113.5 47.0 -61.4 -45.6 41.1 64.2 -7.9 266 266 A I H X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.922 117.0 41.8 -63.2 -46.1 43.6 62.9 -10.4 267 267 A F H X S+ 0 0 3 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.831 112.4 53.2 -72.8 -32.2 42.3 59.4 -10.5 268 268 A Y H X S+ 0 0 31 -4,-2.6 4,-2.5 -5,-0.2 5,-0.2 0.920 111.9 47.2 -66.8 -41.3 38.6 60.4 -10.5 269 269 A R H X>S+ 0 0 74 -4,-2.1 4,-2.5 -5,-0.3 5,-0.6 0.938 112.5 47.8 -65.0 -46.0 39.3 62.7 -13.5 270 270 A A H X>S+ 0 0 0 -4,-2.2 5,-2.5 1,-0.2 4,-1.7 0.926 113.3 50.4 -59.8 -43.1 41.3 60.0 -15.4 271 271 A L H <5S+ 0 0 1 -4,-2.4 -118,-0.4 1,-0.2 -2,-0.2 0.910 119.7 32.8 -60.1 -48.5 38.4 57.5 -14.7 272 272 A T H <5S+ 0 0 40 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.689 130.7 29.8 -87.1 -19.0 35.6 59.7 -15.9 273 273 A Q H <5S+ 0 0 120 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.782 129.0 16.5-111.3 -33.1 37.4 61.6 -18.7 274 274 A Y T < - 0 0 63 -2,-0.1 3,-1.7 -122,-0.1 -122,-0.1 -0.772 40.4 -87.6-125.2 172.3 38.0 53.5 -21.8 277 277 A P T 3 S+ 0 0 63 0, 0.0 -121,-2.6 0, 0.0 -123,-0.1 0.778 125.6 33.4 -51.1 -32.8 36.8 49.9 -21.7 278 278 A T T 3 S+ 0 0 95 -123,-0.2 -117,-0.1 -125,-0.1 -118,-0.1 0.168 80.9 144.1-115.2 21.0 40.1 48.5 -23.0 279 279 A S < - 0 0 4 -3,-1.7 -115,-0.2 -126,-0.1 2,-0.2 -0.292 33.6-155.1 -58.1 140.0 42.6 50.9 -21.5 280 280 A N > - 0 0 60 -119,-0.1 4,-2.1 -116,-0.1 5,-0.2 -0.475 35.2 -87.1-107.8-177.3 45.8 49.1 -20.4 281 281 A F H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.921 127.6 52.9 -57.8 -44.5 48.4 50.2 -17.8 282 282 A S H > S+ 0 0 55 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.920 110.2 47.7 -58.6 -43.0 50.3 52.3 -20.3 283 283 A Q H > S+ 0 0 87 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.842 107.5 56.1 -68.8 -30.2 47.1 54.1 -21.2 284 284 A L H X S+ 0 0 0 -4,-2.1 4,-3.1 2,-0.2 -1,-0.2 0.906 105.4 52.6 -65.7 -39.5 46.3 54.6 -17.5 285 285 A R H X S+ 0 0 34 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.949 112.0 45.0 -59.5 -48.2 49.7 56.3 -17.1 286 286 A A H X S+ 0 0 60 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.900 113.4 50.2 -63.0 -41.2 48.9 58.6 -19.9 287 287 A A H X S+ 0 0 6 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.917 112.5 47.2 -64.1 -42.6 45.4 59.3 -18.6 288 288 A A H X S+ 0 0 0 -4,-3.1 4,-2.4 2,-0.2 -2,-0.2 0.901 112.6 48.2 -66.0 -43.2 46.8 60.0 -15.1 289 289 A V H X S+ 0 0 25 -4,-2.6 4,-2.2 -5,-0.2 -2,-0.2 0.928 113.6 47.6 -63.4 -43.9 49.5 62.4 -16.4 290 290 A Q H X S+ 0 0 84 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.865 111.3 51.5 -65.1 -36.9 47.0 64.2 -18.6 291 291 A S H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.927 111.3 45.8 -66.3 -45.5 44.5 64.5 -15.7 292 292 A A H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 5,-0.4 0.859 111.9 53.7 -65.3 -35.4 47.2 66.0 -13.4 293 293 A T H X S+ 0 0 36 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.926 108.3 48.9 -64.0 -44.6 48.2 68.3 -16.2 294 294 A D H < S+ 0 0 61 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.902 119.4 39.1 -60.3 -42.2 44.6 69.5 -16.6 295 295 A L H < S+ 0 0 67 -4,-2.1 -2,-0.2 -5,-0.1 -1,-0.2 0.795 135.7 10.1 -81.6 -31.3 44.3 70.1 -12.9 296 296 A Y H < S- 0 0 67 -4,-2.9 -3,-0.2 -5,-0.1 -2,-0.2 0.429 106.2 -94.6-132.6 1.2 47.8 71.5 -12.0 297 297 A G >< - 0 0 31 -4,-2.2 3,-1.8 -5,-0.4 6,-0.4 0.210 35.3 -89.9 95.0 144.0 49.7 72.3 -15.1 298 298 A S T 3 S+ 0 0 83 1,-0.3 -1,-0.1 -5,-0.1 -5,-0.1 0.686 125.6 48.4 -62.6 -20.5 52.3 70.4 -17.1 299 299 A T T 3 S+ 0 0 138 -6,-0.1 -1,-0.3 -3,-0.1 -2,-0.1 0.183 88.6 120.8-106.1 18.3 55.2 71.8 -15.0 300 300 A S S <> S- 0 0 17 -3,-1.8 4,-1.5 1,-0.1 -3,-0.1 -0.311 74.1-121.5 -78.6 163.0 53.6 71.1 -11.7 301 301 A Q H > S+ 0 0 99 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.795 114.0 61.9 -70.2 -28.9 55.0 68.9 -8.9 302 302 A E H > S+ 0 0 26 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.923 104.2 44.1 -63.4 -47.4 51.8 66.9 -9.2 303 303 A V H > S+ 0 0 3 -6,-0.4 4,-1.7 -11,-0.2 -1,-0.2 0.882 113.6 53.8 -65.5 -35.2 52.5 65.9 -12.8 304 304 A A H X S+ 0 0 43 -4,-1.5 4,-2.2 1,-0.2 -2,-0.2 0.921 107.8 48.4 -65.7 -43.8 56.0 65.1 -11.8 305 305 A S H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.835 107.9 54.4 -67.0 -34.3 55.0 62.8 -9.0 306 306 A V H X S+ 0 0 0 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.916 110.7 47.4 -64.8 -41.4 52.5 60.9 -11.2 307 307 A K H X S+ 0 0 90 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.926 113.1 46.8 -65.1 -46.6 55.4 60.2 -13.7 308 308 A Q H X S+ 0 0 74 -4,-2.2 4,-3.1 2,-0.2 -2,-0.2 0.920 110.4 53.9 -61.2 -45.2 57.9 59.1 -11.0 309 309 A A H X S+ 0 0 0 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.918 112.0 42.8 -56.6 -49.4 55.3 56.8 -9.4 310 310 A F H <>S+ 0 0 0 -4,-2.0 5,-3.4 2,-0.2 -1,-0.2 0.821 113.7 51.8 -69.7 -30.2 54.5 55.0 -12.6 311 311 A D H ><5S+ 0 0 47 -4,-2.0 3,-1.8 3,-0.2 -2,-0.2 0.912 105.7 57.9 -68.4 -40.1 58.3 54.9 -13.5 312 312 A A H 3<5S+ 0 0 1 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.872 109.4 42.2 -57.3 -39.6 58.8 53.4 -10.0 313 313 A V T 3<5S- 0 0 0 -4,-1.5 -96,-3.0 -5,-0.1 -1,-0.3 0.266 119.5-111.4 -92.1 14.4 56.4 50.5 -10.8 314 314 A G T < 5 + 0 0 14 -3,-1.8 2,-0.8 1,-0.2 -3,-0.2 0.772 68.1 145.9 66.4 26.4 57.9 50.1 -14.2 315 315 A V < 0 0 3 -5,-3.4 -1,-0.2 -6,-0.2 -2,-0.1 -0.843 360.0 360.0-101.2 106.6 54.8 51.3 -16.1 316 316 A K 0 0 165 -2,-0.8 -31,-0.1 -3,-0.1 -30,-0.1 -0.775 360.0 360.0-109.8 360.0 55.9 53.2 -19.2 317 ! 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 A V 0 0 7 0, 0.0 -204,-0.1 0, 0.0 -206,-0.1 0.000 360.0 360.0 360.0 -15.5 36.3 42.0 -3.3 319 323 A K 0 0 90 -206,-0.3 -206,-0.1 0, 0.0 -93,-0.0 -0.916 360.0 360.0-148.4 360.0 38.5 39.1 -4.5