==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 05-DEC-11 3UY5 . COMPND 2 MOLECULE: ENHANCED INTRACELLULAR SURVIVAL PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR K.H.KIM,S.W.SUH . 396 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18833.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 276 69.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 3.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 91 23.0 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 . 3 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 32 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 82 20.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.8 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 2 1 1 1 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 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 0 PARALLEL BRIDGES PER LADDER . 2 2 1 1 3 2 3 0 0 0 1 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 1 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 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 8 A T 0 0 138 0, 0.0 49,-2.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -79.8 17.2 39.8 -37.1 2 9 A V E -A 49 0A 61 47,-0.2 2,-0.4 45,-0.0 47,-0.2 -0.739 360.0-166.0 -94.1 139.6 18.8 36.3 -37.3 3 10 A T E -A 48 0A 72 45,-2.1 45,-2.4 -2,-0.4 2,-0.5 -0.964 10.3-147.0-125.0 140.2 21.6 35.2 -35.0 4 11 A L E +A 47 0A 58 -2,-0.4 2,-0.3 43,-0.2 43,-0.2 -0.914 37.9 134.1-108.3 125.3 23.9 32.2 -35.3 5 12 A C E -A 46 0A 35 41,-2.7 41,-3.2 -2,-0.5 -2,-0.0 -0.984 57.5 -76.8-160.0 168.5 25.1 30.5 -32.1 6 13 A S - 0 0 43 -2,-0.3 39,-0.2 39,-0.2 37,-0.0 -0.567 59.7-108.2 -72.1 129.9 25.7 27.3 -30.1 7 14 A P - 0 0 32 0, 0.0 2,-0.2 0, 0.0 35,-0.1 -0.204 25.3-144.0 -60.5 148.4 22.4 25.9 -28.8 8 15 A T > - 0 0 69 1,-0.1 3,-1.6 0, 0.0 4,-0.3 -0.556 34.0-104.8 -92.3 171.5 21.6 26.1 -25.1 9 16 A E G > S+ 0 0 127 1,-0.3 3,-0.9 -2,-0.2 -1,-0.1 0.759 125.4 64.9 -66.6 -21.6 19.7 23.2 -23.4 10 17 A D G 3 S+ 0 0 138 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.525 95.7 58.1 -73.1 -7.5 16.8 25.7 -23.7 11 18 A D G <> S+ 0 0 7 -3,-1.6 4,-2.0 2,-0.1 -1,-0.2 0.539 81.9 89.3 -97.6 -10.4 17.1 25.4 -27.4 12 19 A W H <> S+ 0 0 64 -3,-0.9 4,-3.2 -4,-0.3 5,-0.3 0.930 82.7 50.1 -55.9 -58.2 16.5 21.7 -27.5 13 20 A P H > S+ 0 0 85 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.887 111.8 50.4 -53.8 -41.8 12.7 21.6 -27.8 14 21 A G H > S+ 0 0 21 -4,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.913 112.6 48.0 -56.2 -42.9 12.9 24.0 -30.7 15 22 A M H X S+ 0 0 15 -4,-2.0 4,-2.8 -3,-0.3 -1,-0.2 0.917 109.6 50.6 -68.4 -45.8 15.5 21.8 -32.3 16 23 A F H X S+ 0 0 57 -4,-3.2 4,-3.1 2,-0.2 -1,-0.2 0.903 111.7 49.7 -55.7 -43.0 13.5 18.6 -31.8 17 24 A L H X S+ 0 0 105 -4,-2.3 4,-2.2 -5,-0.3 -2,-0.2 0.967 111.9 45.8 -62.3 -54.5 10.5 20.3 -33.4 18 25 A L H X S+ 0 0 13 -4,-2.6 4,-0.7 1,-0.2 -2,-0.2 0.914 114.2 51.1 -52.2 -43.7 12.5 21.5 -36.4 19 26 A A H >X S+ 0 0 2 -4,-2.8 4,-2.6 1,-0.2 3,-1.5 0.954 108.4 49.8 -60.8 -51.6 14.0 18.0 -36.7 20 27 A A H 3< S+ 0 0 52 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.854 112.9 48.0 -55.2 -36.8 10.6 16.3 -36.6 21 28 A A H 3< S+ 0 0 77 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.561 117.7 41.5 -81.8 -8.6 9.3 18.7 -39.3 22 29 A S H << S+ 0 0 45 -3,-1.5 2,-0.5 -4,-0.7 -2,-0.2 0.714 113.6 45.6-111.6 -27.5 12.4 18.1 -41.5 23 30 A F >< - 0 0 48 -4,-2.6 3,-1.4 -5,-0.2 4,-0.3 -0.958 58.2-161.7-125.8 118.1 13.1 14.4 -41.2 24 31 A T T 3 S+ 0 0 145 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.887 95.2 53.7 -65.1 -37.6 10.3 11.8 -41.5 25 32 A D T 3 S+ 0 0 128 1,-0.1 -1,-0.3 3,-0.0 -5,-0.1 0.623 85.8 100.0 -69.2 -12.9 12.4 9.2 -39.9 26 33 A F < + 0 0 16 -3,-1.4 -1,-0.1 -7,-0.2 -2,-0.1 0.868 44.8 117.6 -44.3 -86.3 13.1 11.4 -37.0 27 34 A I + 0 0 123 -4,-0.3 -11,-0.0 -3,-0.1 -3,-0.0 0.137 49.6 68.6 -33.7 105.4 10.8 10.4 -34.2 28 35 A G >> - 0 0 25 0, 0.0 4,-1.3 0, 0.0 3,-0.6 -0.009 50.4-175.3-118.8 149.7 11.9 9.4 -31.7 29 36 A P H 3> S+ 0 0 42 0, 0.0 4,-1.7 0, 0.0 5,-0.2 0.789 88.1 69.9 -62.1 -29.1 13.7 12.2 -29.9 30 37 A E H 34 S+ 0 0 157 1,-0.3 4,-0.2 2,-0.2 3,-0.1 0.890 100.5 44.8 -61.1 -40.1 14.8 9.6 -27.5 31 38 A S H X> S+ 0 0 44 -3,-0.6 3,-2.0 1,-0.2 4,-1.7 0.877 105.5 61.5 -67.7 -37.0 17.0 8.2 -30.2 32 39 A A H 3X S+ 0 0 10 -4,-1.3 4,-1.5 1,-0.3 -2,-0.2 0.846 99.9 57.0 -53.1 -32.6 18.1 11.8 -31.0 33 40 A T H 3< S+ 0 0 69 -4,-1.7 4,-0.3 2,-0.2 -1,-0.3 0.523 101.3 55.9 -85.2 -3.9 19.5 11.7 -27.4 34 41 A A H X4 S+ 0 0 6 -3,-2.0 3,-1.4 -5,-0.2 4,-0.3 0.893 109.0 44.4 -82.5 -53.3 21.6 8.7 -28.2 35 42 A W H >< S+ 0 0 48 -4,-1.7 3,-2.3 1,-0.3 4,-0.4 0.814 99.9 73.7 -58.4 -30.4 23.4 10.4 -31.2 36 43 A R G >< S+ 0 0 96 -4,-1.5 3,-1.9 1,-0.3 -1,-0.3 0.841 85.8 63.6 -54.3 -33.9 23.7 13.5 -29.0 37 44 A T G < S+ 0 0 90 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.719 97.9 56.8 -64.6 -19.2 26.5 11.7 -27.0 38 45 A L G < S+ 0 0 23 -3,-2.3 27,-2.8 -4,-0.3 -1,-0.3 0.513 87.6 95.2 -85.8 -7.0 28.5 11.6 -30.3 39 46 A V S < S- 0 0 32 -3,-1.9 25,-0.2 -4,-0.4 3,-0.1 -0.749 73.6-135.8 -91.8 120.2 28.3 15.4 -30.5 40 47 A P > - 0 0 38 0, 0.0 3,-2.8 0, 0.0 23,-0.2 -0.397 36.4 -84.4 -71.3 151.8 31.3 17.1 -29.1 41 48 A T T 3 S+ 0 0 129 1,-0.3 0, 0.0 2,-0.1 0, 0.0 -0.327 125.0 19.1 -42.0 128.3 30.9 20.2 -26.9 42 49 A D T 3 S+ 0 0 103 -35,-0.1 -1,-0.3 -3,-0.1 64,-0.0 0.621 90.3 116.7 73.4 13.1 30.6 23.0 -29.5 43 50 A G < + 0 0 0 -3,-2.8 20,-2.2 20,-0.1 2,-0.4 0.316 62.6 76.9 -90.5 10.8 29.7 20.6 -32.3 44 51 A A E - B 0 62A 15 18,-0.2 2,-0.4 -4,-0.1 18,-0.2 -0.957 53.5-175.7-129.0 138.6 26.3 22.2 -32.7 45 52 A V E - B 0 61A 0 16,-2.9 16,-2.0 -2,-0.4 2,-0.3 -0.984 4.5-176.1-127.8 140.3 25.0 25.4 -34.3 46 53 A V E -AB 5 60A 0 -41,-3.2 -41,-2.7 -2,-0.4 2,-0.5 -0.944 18.4-140.8-126.7 155.7 21.5 26.9 -34.3 47 54 A V E -AB 4 59A 4 12,-3.0 11,-2.8 -2,-0.3 12,-1.2 -0.980 18.6-159.2-114.1 123.8 20.0 30.0 -35.9 48 55 A R E -AB 3 57A 52 -45,-2.4 -45,-2.1 -2,-0.5 2,-1.0 -0.776 18.0-125.7-100.3 146.0 17.5 31.9 -33.8 49 56 A D E S-A 2 0A 63 7,-2.4 7,-0.3 -2,-0.3 2,-0.3 -0.771 74.7 -28.0 -94.7 101.3 15.0 34.3 -35.3 50 57 A G S S- 0 0 22 -49,-2.6 2,-0.3 -2,-1.0 -47,-0.2 -0.721 84.5 -78.4 97.3-155.7 15.3 37.6 -33.6 51 58 A A S S+ 0 0 96 -2,-0.3 -49,-0.0 -49,-0.1 -2,-0.0 -0.973 72.5 75.2-147.5 155.8 16.6 38.3 -30.1 52 59 A G S S- 0 0 54 -2,-0.3 2,-0.8 3,-0.1 3,-0.4 -0.948 88.4 -19.5 137.7-159.3 15.1 38.0 -26.6 53 60 A P S S- 0 0 139 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 -0.774 125.2 -20.3 -91.7 108.2 14.3 35.2 -24.3 54 61 A G S S- 0 0 61 -2,-0.8 3,-0.1 1,-0.1 -3,-0.0 0.837 77.6-169.3 65.3 38.7 14.0 31.9 -26.2 55 62 A S - 0 0 26 -3,-0.4 -1,-0.1 1,-0.1 -5,-0.1 -0.253 37.7 -85.9 -53.6 149.3 13.4 33.2 -29.7 56 63 A E - 0 0 134 -7,-0.3 -7,-2.4 -8,-0.1 2,-0.3 -0.243 37.2-117.4 -68.8 141.9 12.4 30.3 -32.0 57 64 A V E +B 48 0A 13 -9,-0.2 -9,-0.2 1,-0.1 -1,-0.1 -0.574 36.2 166.0 -71.8 138.3 14.9 28.1 -33.8 58 65 A V E + 0 0 8 -11,-2.8 29,-3.6 1,-0.4 2,-0.3 0.376 65.7 31.5-130.6 -4.4 14.8 28.3 -37.5 59 66 A G E +BC 47 86A 0 -12,-1.2 -12,-3.0 27,-0.2 -1,-0.4 -0.988 59.9 170.2-153.7 144.2 18.1 26.6 -38.4 60 67 A M E +BC 46 85A 8 25,-2.5 25,-2.6 -2,-0.3 2,-0.3 -0.988 3.1 161.8-151.5 155.1 20.2 23.9 -36.9 61 68 A A E +B 45 0A 0 -16,-2.0 -16,-2.9 -2,-0.3 2,-0.3 -0.943 7.2 169.8-165.7 153.6 23.3 21.8 -37.8 62 69 A L E -BC 44 82A 14 20,-1.4 20,-2.0 -2,-0.3 2,-0.3 -0.978 20.6-133.5-157.1 171.7 25.8 19.7 -36.0 63 70 A Y E - C 0 81A 5 -20,-2.2 2,-0.3 -2,-0.3 18,-0.2 -0.976 12.8-144.9-133.0 155.3 28.6 17.2 -36.4 64 71 A M E - C 0 80A 0 16,-1.9 16,-2.9 -2,-0.3 2,-0.7 -0.832 26.4-110.0-113.2 151.2 29.5 14.0 -34.6 65 72 A D E + C 0 79A 60 -27,-2.8 2,-0.3 -2,-0.3 14,-0.2 -0.736 50.9 168.4 -82.6 115.4 32.9 12.6 -33.8 66 73 A L E - C 0 78A 5 12,-2.6 12,-2.9 -2,-0.7 2,-0.5 -0.829 34.9-135.5-127.9 163.0 33.5 9.6 -36.0 67 74 A R E - C 0 77A 78 -2,-0.3 119,-1.5 119,-0.3 2,-0.4 -0.971 24.8-168.8-121.3 114.9 36.3 7.3 -37.1 68 75 A L E -DC 185 76A 0 8,-2.6 8,-3.2 -2,-0.5 2,-0.4 -0.870 15.5-137.5-109.3 134.1 36.5 6.5 -40.8 69 76 A T E - C 0 75A 0 115,-2.5 114,-2.8 -2,-0.4 6,-0.2 -0.755 24.2-174.3 -89.2 131.6 38.6 3.8 -42.4 70 77 A V E > - C 0 74A 0 4,-3.4 4,-1.6 -2,-0.4 3,-0.5 -0.783 42.6 -59.0-122.6 165.4 40.4 4.9 -45.6 71 78 A P T 4 S+ 0 0 4 0, 0.0 233,-2.7 0, 0.0 3,-0.2 -0.083 123.1 39.6 -52.8 142.7 42.5 2.8 -48.0 72 79 A G T 4 S- 0 0 58 231,-0.2 3,-0.1 108,-0.2 233,-0.1 0.584 127.4 -84.0 89.4 13.5 45.5 1.1 -46.4 73 80 A E T 4 S+ 0 0 118 -3,-0.5 2,-0.4 1,-0.2 -1,-0.1 0.808 83.3 154.2 59.4 32.0 43.4 0.3 -43.3 74 81 A V E < -C 70 0A 49 -4,-1.6 -4,-3.4 -3,-0.2 2,-0.5 -0.799 34.9-145.5 -95.8 134.5 44.1 3.8 -41.9 75 82 A V E -C 69 0A 57 -2,-0.4 -6,-0.2 -6,-0.2 110,-0.0 -0.896 15.2-165.9-106.2 121.7 41.5 5.3 -39.5 76 83 A L E -C 68 0A 10 -8,-3.2 -8,-2.6 -2,-0.5 2,-0.3 -0.848 27.8-115.7-108.9 138.1 40.9 9.0 -39.5 77 84 A P E -C 67 0A 49 0, 0.0 37,-0.7 0, 0.0 2,-0.4 -0.563 46.0-171.2 -60.3 131.1 39.1 11.3 -37.1 78 85 A T E -Ce 66 114A 1 -12,-2.9 -12,-2.6 -2,-0.3 2,-0.7 -0.994 25.2-136.4-136.6 134.7 36.1 12.4 -39.1 79 86 A A E -Ce 65 115A 0 35,-2.2 37,-2.8 -2,-0.4 2,-0.8 -0.839 22.3-155.8 -92.8 115.1 33.5 15.1 -38.4 80 87 A G E -Ce 64 116A 0 -16,-2.9 -16,-1.9 -2,-0.7 37,-0.2 -0.802 5.4-148.4 -96.2 105.4 30.1 13.7 -39.5 81 88 A L E +C 63 0A 4 35,-2.5 37,-0.5 -2,-0.8 2,-0.3 -0.469 32.6 144.6 -68.0 139.0 27.5 16.3 -40.3 82 89 A S E +C 62 0A 12 -20,-2.0 -20,-1.4 -2,-0.2 3,-0.1 -0.952 42.4 45.9-160.6 179.0 23.9 15.5 -39.5 83 90 A F E + 0 0 48 -2,-0.3 2,-0.5 1,-0.2 -1,-0.1 0.842 68.2 164.8 45.0 42.0 20.6 17.0 -38.4 84 91 A V E + 0 0 23 -23,-0.2 2,-0.3 -3,-0.1 -23,-0.2 -0.783 9.8 154.7 -88.4 124.8 21.1 19.9 -40.8 85 92 A A E -C 60 0A 8 -25,-2.6 -25,-2.5 -2,-0.5 2,-0.4 -0.987 33.3-160.7-159.3 139.4 17.9 21.7 -41.3 86 93 A V E -C 59 0A 13 -2,-0.3 -27,-0.2 -27,-0.2 5,-0.1 -0.975 38.2-105.8-119.9 135.8 16.4 25.1 -42.2 87 94 A A > - 0 0 8 -29,-3.6 3,-2.6 -2,-0.4 -29,-0.1 -0.313 25.1-123.3 -58.2 140.9 12.8 26.1 -41.3 88 95 A P T 3 S+ 0 0 93 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 0.704 113.5 61.3 -60.2 -18.1 10.4 26.0 -44.3 89 96 A T T 3 S+ 0 0 103 1,-0.2 -2,-0.1 2,-0.1 -31,-0.0 0.515 107.1 41.5 -83.3 -9.7 9.8 29.6 -43.3 90 97 A H S X S+ 0 0 17 -3,-2.6 3,-0.8 -32,-0.2 5,-0.4 -0.076 73.9 138.4-132.1 40.5 13.4 30.8 -43.8 91 98 A R T 3 + 0 0 149 -3,-0.5 3,-0.3 1,-0.2 5,-0.2 0.754 67.5 30.0 -62.1 -44.5 14.5 29.0 -47.0 92 99 A R T 3 S+ 0 0 236 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 -0.123 87.3 102.2-116.0 34.9 16.6 31.3 -49.2 93 100 A R S < S- 0 0 139 -3,-0.8 -1,-0.2 0, 0.0 -2,-0.1 0.201 96.1-101.9-106.1 11.0 18.2 33.5 -46.6 94 101 A G S > S+ 0 0 16 -3,-0.3 4,-2.3 3,-0.0 5,-0.2 0.613 77.8 132.9 83.0 13.4 21.6 32.0 -46.5 95 102 A L H > S+ 0 0 8 -5,-0.4 4,-2.9 2,-0.2 5,-0.2 0.919 73.0 49.8 -65.7 -42.6 21.2 30.0 -43.3 96 103 A L H > S+ 0 0 29 -5,-0.2 4,-2.4 2,-0.2 5,-0.2 0.895 111.8 48.1 -63.2 -43.0 22.7 26.8 -44.7 97 104 A R H > S+ 0 0 140 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.942 114.6 46.4 -59.5 -49.0 25.8 28.7 -46.0 98 105 A A H X S+ 0 0 44 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.922 114.8 46.0 -62.9 -44.5 26.2 30.5 -42.6 99 106 A M H X S+ 0 0 0 -4,-2.9 4,-2.2 2,-0.2 -1,-0.2 0.885 115.4 46.0 -67.5 -39.4 25.8 27.3 -40.6 100 107 A C H X S+ 0 0 1 -4,-2.4 4,-2.5 -5,-0.2 -2,-0.2 0.890 111.9 50.9 -69.8 -40.4 28.1 25.2 -42.8 101 108 A A H X S+ 0 0 43 -4,-2.7 4,-1.9 -5,-0.2 -2,-0.2 0.942 113.2 46.1 -60.8 -44.8 30.8 27.9 -42.8 102 109 A E H X S+ 0 0 40 -4,-2.2 4,-1.8 -5,-0.2 -2,-0.2 0.916 113.3 48.7 -66.1 -43.1 30.6 28.2 -39.1 103 110 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.881 109.3 52.9 -63.2 -40.8 30.7 24.4 -38.6 104 111 A H H X S+ 0 0 17 -4,-2.5 4,-3.0 2,-0.2 -1,-0.2 0.864 106.3 52.3 -65.5 -37.8 33.7 24.0 -41.0 105 112 A R H X S+ 0 0 134 -4,-1.9 4,-3.1 2,-0.2 5,-0.2 0.938 112.4 46.2 -60.6 -46.3 35.8 26.6 -39.1 106 113 A R H X S+ 0 0 41 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.913 113.8 48.3 -62.6 -43.5 35.1 24.7 -35.9 107 114 A I H <>S+ 0 0 0 -4,-2.5 5,-1.8 2,-0.2 4,-0.5 0.919 114.4 45.8 -62.9 -46.8 35.9 21.3 -37.6 108 115 A A H ><5S+ 0 0 49 -4,-3.0 3,-1.7 1,-0.2 -2,-0.2 0.957 113.3 48.9 -59.3 -52.7 39.1 22.7 -39.1 109 116 A D H 3<5S+ 0 0 137 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.756 106.6 57.8 -61.4 -27.6 40.3 24.4 -35.9 110 117 A S T 3<5S- 0 0 79 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.551 118.2-110.2 -80.4 -11.0 39.6 21.1 -34.0 111 118 A G T < 5 + 0 0 57 -3,-1.7 -3,-0.2 -4,-0.5 -2,-0.1 0.646 61.0 152.3 94.2 14.7 42.0 19.2 -36.2 112 119 A Y < - 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0 0 47 -15,-1.4 -15,-0.3 2,-0.1 -23,-0.0 -0.986 44.0-152.8-158.9 168.3 54.7 24.9 -53.5 339 350 A D + 0 0 144 -2,-0.3 3,-0.1 2,-0.1 -15,-0.1 0.230 57.2 125.4-129.7 7.8 54.1 27.6 -56.0 340 351 A A S S- 0 0 46 1,-0.1 -2,-0.1 -17,-0.1 -16,-0.0 -0.212 79.5 -74.1 -53.2 158.2 55.5 25.7 -59.0 341 352 A A - 0 0 79 1,-0.1 2,-0.1 2,-0.0 -1,-0.1 -0.327 54.8-108.9 -62.3 140.8 53.0 25.5 -61.9 342 353 A A - 0 0 27 1,-0.1 -26,-0.2 -3,-0.1 3,-0.1 -0.440 27.4-174.4 -70.0 138.5 50.0 23.2 -61.4 343 354 A E S S+ 0 0 53 -28,-2.4 30,-1.9 1,-0.3 2,-0.4 0.650 77.8 27.7-100.1 -27.1 49.9 20.0 -63.4 344 355 A I E -pR 316 372D 1 -29,-2.1 -27,-2.8 28,-0.2 2,-0.4 -0.999 66.9-173.4-134.6 141.5 46.5 19.0 -62.1 345 356 A E E +pR 317 371D 76 26,-3.0 26,-2.5 -2,-0.4 2,-0.3 -0.997 13.2 150.5-135.7 144.3 43.5 21.1 -60.9 346 357 A M E -p 318 0D 5 -29,-1.8 -27,-1.8 -2,-0.4 24,-0.1 -0.978 44.3 -99.6-160.4 154.1 40.2 20.3 -59.3 347 358 A D > - 0 0 57 22,-0.5 4,-1.1 -2,-0.3 3,-0.4 -0.312 46.1-103.6 -67.6 163.6 37.6 21.7 -56.9 348 359 A R H > S+ 0 0 42 -29,-0.4 4,-1.5 1,-0.2 -55,-0.3 0.871 118.1 58.4 -57.2 -41.3 37.8 20.4 -53.3 349 360 A D H > S+ 0 0 20 -223,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.858 99.4 58.1 -63.6 -36.3 34.7 18.1 -53.8 350 361 A V H > S+ 0 0 1 -3,-0.4 4,-1.5 1,-0.2 -1,-0.2 0.901 102.9 54.7 -57.7 -42.1 36.3 16.2 -56.6 351 362 A L H X S+ 0 0 2 -4,-1.1 4,-1.8 -3,-0.3 3,-0.3 0.909 105.3 51.3 -60.9 -43.6 39.2 15.3 -54.3 352 363 A G H X S+ 0 0 0 -4,-1.5 4,-0.5 -223,-0.2 -1,-0.2 0.861 107.7 54.7 -61.0 -35.0 36.8 13.8 -51.8 353 364 A S H < S+ 0 0 9 -4,-1.7 6,-0.7 1,-0.2 5,-0.3 0.793 113.3 41.0 -67.0 -31.8 35.2 11.7 -54.6 354 365 A L H >< S+ 0 0 4 -4,-1.5 3,-2.4 -3,-0.3 -1,-0.2 0.770 95.6 86.4 -79.1 -28.7 38.6 10.3 -55.5 355 366 A Y H 3< S+ 0 0 0 -4,-1.8 -2,-0.1 1,-0.3 -1,-0.1 0.722 95.6 32.3 -57.0 -37.7 39.8 9.8 -51.9 356 367 A L T 3< S- 0 0 0 -4,-0.5 -1,-0.3 -3,-0.2 35,-0.2 0.306 112.9-110.1-100.0 7.2 38.3 6.4 -51.1 357 368 A G S < S+ 0 0 25 -3,-2.4 30,-0.3 2,-0.2 -2,-0.1 0.548 81.7 125.1 79.3 8.1 38.7 5.1 -54.7 358 369 A A S S+ 0 0 32 -225,-0.5 2,-0.4 -5,-0.3 -4,-0.1 0.720 73.9 41.2 -73.4 -19.7 35.0 5.0 -55.6 359 370 A H S S- 0 0 63 -6,-0.7 2,-0.4 -5,-0.1 -2,-0.2 -0.976 84.1-126.4-128.3 142.5 35.5 7.2 -58.6 360 371 A R >> - 0 0 148 -2,-0.4 4,-1.9 1,-0.1 3,-0.7 -0.706 13.2-134.0 -87.8 137.7 38.3 7.1 -61.2 361 372 A A H 3> S+ 0 0 1 -2,-0.4 4,-2.7 1,-0.2 5,-0.2 0.890 107.0 59.2 -53.6 -40.7 40.3 10.3 -61.9 362 373 A S H 3> S+ 0 0 36 16,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.841 104.8 49.1 -62.3 -31.9 40.0 9.6 -65.6 363 374 A T H <> S+ 0 0 88 -3,-0.7 4,-1.2 2,-0.2 -1,-0.2 0.908 111.6 48.0 -72.0 -40.9 36.2 9.6 -65.4 364 375 A L H <>S+ 0 0 24 -4,-1.9 5,-1.6 1,-0.2 6,-0.8 0.892 112.0 51.5 -62.7 -39.5 36.2 12.9 -63.5 365 376 A A H ><5S+ 0 0 20 -4,-2.7 3,-1.8 1,-0.2 -1,-0.2 0.872 102.2 58.4 -66.4 -38.6 38.6 14.3 -66.1 366 377 A A H 3<5S+ 0 0 93 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.866 106.9 48.9 -61.4 -31.3 36.4 13.2 -68.9 367 378 A A T 3<5S- 0 0 72 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.2 0.380 115.4-122.1 -88.3 1.7 33.7 15.4 -67.3 368 379 A N T < 5S+ 0 0 107 -3,-1.8 -3,-0.2 2,-0.2 3,-0.1 0.510 83.2 116.6 76.3 4.6 36.3 18.2 -67.1 369 380 A R S - 0 0 50 -31,-0.1 4,-1.5 1,-0.1 -1,-0.2 -0.867 59.6-130.8-131.8 151.7 49.0 14.6 -69.5 375 386 A S H > S+ 0 0 77 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.846 109.3 61.2 -64.1 -33.1 47.1 11.5 -70.0 376 387 A Q H > S+ 0 0 88 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.919 103.3 48.8 -59.0 -45.1 50.0 9.6 -68.4 377 388 A L H > S+ 0 0 6 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.903 110.4 52.9 -62.1 -42.1 49.6 11.6 -65.1 378 389 A L H X S+ 0 0 23 -4,-1.5 4,-2.5 2,-0.2 -16,-0.2 0.937 107.6 49.3 -55.3 -53.4 45.9 10.8 -65.3 379 390 A R H X S+ 0 0 157 -4,-2.7 4,-1.0 1,-0.2 -1,-0.2 0.840 114.5 47.4 -59.0 -31.6 46.5 7.0 -65.6 380 391 A R H X S+ 0 0 87 -4,-1.8 4,-3.2 2,-0.2 3,-0.3 0.908 110.6 48.2 -76.6 -41.7 48.9 7.2 -62.7 381 392 A L H X S+ 0 0 11 -4,-2.9 4,-1.6 1,-0.2 -2,-0.2 0.828 113.7 51.8 -62.5 -38.0 46.5 9.2 -60.5 382 393 A D H < S+ 0 0 17 -4,-2.5 4,-0.3 -5,-0.2 -1,-0.2 0.646 114.9 39.4 -65.3 -35.0 43.9 6.6 -61.4 383 394 A A H < S+ 0 0 44 -4,-1.0 3,-0.3 -3,-0.3 -77,-0.3 0.845 116.1 50.3 -84.3 -41.9 46.0 3.6 -60.5 384 395 A A H < S+ 0 0 0 -4,-3.2 -78,-2.4 1,-0.2 -2,-0.2 0.897 111.7 46.9 -63.7 -42.2 47.6 5.2 -57.4 385 396 A F S < S+ 0 0 10 -4,-1.6 -1,-0.2 -5,-0.2 -3,-0.1 0.667 88.1 106.8 -79.6 -17.4 44.2 6.2 -55.8 386 397 A A - 0 0 45 -3,-0.3 2,-0.4 -4,-0.3 -80,-0.3 -0.104 68.8-123.6 -56.9 163.1 42.4 3.0 -56.5 387 398 A S - 0 0 31 -30,-0.3 -1,-0.1 1,-0.2 4,-0.1 -0.944 7.7-149.8-119.1 128.4 41.8 0.7 -53.5 388 399 A D S S+ 0 0 126 -2,-0.4 -1,-0.2 1,-0.1 -2,-0.0 0.970 97.2 47.7 -53.2 -55.9 42.8 -2.9 -53.0 389 400 A V S S- 0 0 61 -3,-0.1 -1,-0.1 -209,-0.1 3,-0.1 -0.793 103.4-114.5 -90.6 119.7 39.8 -3.5 -50.9 390 401 A P - 0 0 49 0, 0.0 2,-0.2 0, 0.0 -33,-0.1 -0.199 34.4-106.4 -56.0 144.1 36.6 -2.1 -52.5 391 402 A V - 0 0 17 -35,-0.2 -256,-0.3 -210,-0.1 2,-0.2 -0.526 41.4-175.5 -76.8 136.9 35.0 0.8 -50.6 392 403 A Q - 0 0 37 -210,-2.5 2,-0.4 -2,-0.2 -256,-0.1 -0.758 22.8-113.4-126.0 170.6 31.8 0.0 -48.7 393 404 A T - 0 0 26 -2,-0.2 -209,-0.1 -258,-0.1 2,-0.1 -0.913 22.8-164.2-113.6 132.8 29.2 2.0 -46.8 394 405 A A - 0 0 11 -211,-0.6 -210,-0.1 -2,-0.4 -208,-0.1 -0.148 53.6 -33.6 -90.8-166.4 28.6 1.7 -43.0 395 406 A F - 0 0 22 -210,-0.2 -1,-0.2 -2,-0.1 -160,-0.0 -0.269 64.3-115.5 -61.1 137.4 25.6 3.0 -41.2 396 407 A E 0 0 143 -3,-0.1 -1,-0.1 -107,-0.0 -107,-0.0 -0.264 360.0 360.0 -58.8 153.3 23.9 6.2 -42.4 397 408 A F 0 0 29 -316,-0.1 -279,-0.4 -333,-0.0 -316,-0.1 -0.946 360.0 360.0-152.0 360.0 24.1 9.1 -39.9