==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 12-OCT-07 2RIM . COMPND 2 MOLECULE: REGULATOR OF TY1 TRANSPOSITION PROTEIN 109; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR Y.A.YUAN . 374 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19107.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 242 64.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 4.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 65 17.4 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 . 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 . 18 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 24.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 1 0 0 0 2 0 1 0 1 1 0 0 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 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 . 4 1 0 1 1 1 1 0 0 0 1 0 1 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 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 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 1BA H 0 0 125 0, 0.0 2,-0.7 0, 0.0 6,-0.0 0.000 360.0 360.0 360.0 -35.7 48.3 40.2 4.9 2 1AA X + 0 0 79 1,-0.2 3,-0.1 5,-0.0 4,-0.0 -0.869 360.0 138.0 -97.5 122.3 45.5 38.0 5.7 3 1 A X + 0 0 125 -2,-0.7 -1,-0.2 1,-0.2 2,-0.1 0.713 48.0 53.1-124.8 -55.4 42.5 38.9 3.7 4 2 A S S > S- 0 0 30 1,-0.1 4,-2.1 311,-0.1 -1,-0.2 -0.462 80.3-113.6 -88.7 158.1 40.4 36.1 2.2 5 3 A L H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 5,-0.3 0.819 121.4 60.2 -58.2 -28.9 38.9 33.1 3.9 6 4 A N H > S+ 0 0 43 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.940 104.2 47.6 -59.6 -53.1 41.5 31.2 1.8 7 5 A D H > S+ 0 0 40 2,-0.2 4,-1.8 -3,-0.2 -2,-0.2 0.909 113.6 47.8 -50.7 -51.0 44.4 33.1 3.5 8 6 A F H X S+ 0 0 16 -4,-2.1 4,-0.8 2,-0.2 3,-0.3 0.983 117.1 39.6 -58.8 -61.3 42.9 32.5 7.0 9 7 A L H >X S+ 0 0 2 -4,-2.1 3,-1.9 1,-0.2 4,-1.2 0.957 112.6 56.1 -53.7 -57.1 42.3 28.7 6.6 10 8 A S H >< S+ 0 0 3 -4,-2.6 362,-2.3 -5,-0.3 3,-0.8 0.867 102.2 58.5 -42.7 -45.8 45.5 28.1 4.7 11 9 A S H 3< S+ 0 0 41 -4,-1.8 -1,-0.3 -3,-0.3 -2,-0.2 0.711 110.9 39.2 -61.8 -27.0 47.5 29.6 7.6 12 10 A V H << S+ 0 0 6 -3,-1.9 89,-0.5 -4,-0.8 -1,-0.2 0.468 99.2 91.6-101.5 -3.3 46.2 27.1 10.2 13 11 A L S << S- 0 0 0 -4,-1.2 360,-2.5 -3,-0.8 359,-1.1 -0.718 89.8 -89.2 -98.3 144.7 46.3 24.0 7.9 14 12 A P B > -a 373 0A 10 0, 0.0 3,-1.7 0, 0.0 357,-0.4 -0.175 55.9 -80.5 -63.4 141.0 49.4 21.7 7.7 15 13 A V T 3 S- 0 0 36 358,-2.8 357,-0.3 1,-0.2 356,-0.1 0.043 106.5 -5.4 -45.9 136.7 52.2 22.5 5.2 16 14 A S T 3 S+ 0 0 93 355,-1.9 2,-0.4 1,-0.2 -1,-0.2 0.580 96.1 133.2 61.3 18.5 51.6 21.4 1.6 17 15 A E < - 0 0 52 -3,-1.7 354,-2.5 -4,-0.0 2,-0.4 -0.843 52.3-124.9-109.6 142.9 48.3 19.5 2.3 18 16 A Q E +B 370 0B 114 -2,-0.4 42,-0.4 352,-0.2 2,-0.3 -0.677 35.3 161.0 -95.9 126.9 45.2 19.8 0.1 19 17 A F E -B 369 0B 4 350,-2.5 350,-2.4 -2,-0.4 2,-0.3 -0.841 20.5-154.0-132.0 167.6 41.8 20.8 1.6 20 18 A E E -BC 368 58B 53 38,-2.0 38,-3.3 -2,-0.3 2,-0.3 -0.960 12.9-162.3-138.3 155.1 38.5 22.2 0.2 21 19 A Y E -BC 367 57B 6 346,-1.9 346,-1.8 -2,-0.3 2,-0.4 -0.971 16.0-147.9-141.6 152.9 35.8 24.3 1.9 22 20 A L E - C 0 56B 2 34,-2.5 34,-2.1 -2,-0.3 2,-0.5 -0.990 12.2-173.5-114.5 129.8 32.3 25.3 1.6 23 21 A S E - C 0 55B 4 -2,-0.4 298,-2.2 32,-0.2 2,-0.3 -0.965 13.9-179.3-122.4 106.1 31.3 28.8 2.9 24 22 A L E -dC 321 54B 0 30,-3.1 30,-2.7 -2,-0.5 2,-0.3 -0.832 4.9-173.7-110.6 149.0 27.5 29.2 2.7 25 23 A Q E - C 0 53B 4 296,-1.9 28,-0.2 -2,-0.3 2,-0.1 -0.993 17.7-134.9-146.1 131.2 25.5 32.2 3.8 26 24 A S - 0 0 25 26,-2.0 300,-0.1 -2,-0.3 298,-0.1 -0.352 41.5 -91.5 -73.3 165.4 21.8 33.0 4.1 27 25 A I - 0 0 47 1,-0.1 23,-0.1 296,-0.1 -1,-0.1 -0.714 52.3-104.9 -78.0 121.7 20.3 36.3 2.8 28 26 A P - 0 0 12 0, 0.0 98,-2.7 0, 0.0 2,-0.3 -0.103 48.4-173.5 -48.1 139.7 20.4 38.9 5.7 29 27 A L E -Ef 50 126B 64 21,-2.0 21,-2.7 96,-0.2 2,-0.2 -0.996 30.2-102.3-144.3 149.2 16.9 39.4 7.1 30 28 A E E +E 49 0B 50 96,-2.4 19,-0.2 -2,-0.3 2,-0.2 -0.456 49.4 172.5 -66.1 134.8 15.0 41.6 9.6 31 29 A T - 0 0 37 17,-2.6 17,-0.4 -2,-0.2 2,-0.1 -0.675 37.1 -76.3-134.3-179.1 14.3 39.7 12.9 32 30 A H - 0 0 111 -2,-0.2 -1,-0.1 1,-0.1 4,-0.1 -0.463 68.3 -79.8 -76.2 161.8 13.0 40.1 16.5 33 31 A A - 0 0 19 1,-0.1 222,-0.1 -2,-0.1 -1,-0.1 -0.346 35.4-124.9 -58.8 140.4 15.3 41.9 18.9 34 32 A V S S+ 0 0 11 1,-0.2 221,-2.8 220,-0.1 2,-0.4 0.871 103.0 37.6 -51.4 -39.6 18.0 39.5 20.3 35 33 A V B S-M 254 0C 46 219,-0.2 -1,-0.2 216,-0.1 216,-0.1 -0.977 103.1-103.9-120.5 129.0 16.7 40.5 23.8 36 34 A T - 0 0 49 214,-0.5 -2,-0.1 217,-0.5 217,-0.0 -0.295 39.2-127.8 -49.2 112.0 13.1 41.1 24.5 37 35 A P - 0 0 51 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.297 20.1-145.6 -56.1 145.9 12.5 44.9 24.7 38 36 A N > - 0 0 15 213,-0.1 3,-1.2 1,-0.0 207,-0.0 -0.846 22.2-114.9-113.1 159.6 10.7 46.2 27.8 39 37 A K T 3 S+ 0 0 212 -2,-0.3 -1,-0.0 1,-0.3 0, 0.0 0.469 113.1 58.7 -72.9 -2.4 8.3 49.2 28.0 40 38 A D T 3 S+ 0 0 114 3,-0.1 -1,-0.3 0, 0.0 0, 0.0 0.577 82.6 112.0 -99.2 -16.5 10.8 51.2 30.2 41 39 A D < - 0 0 42 -3,-1.2 3,-0.1 1,-0.1 0, 0.0 -0.174 59.3-153.0 -55.3 145.6 13.5 51.0 27.6 42 40 A K S S+ 0 0 217 1,-0.1 2,-0.4 0, 0.0 -1,-0.1 0.719 81.0 55.1 -90.6 -23.5 14.5 54.2 25.8 43 41 A R + 0 0 119 2,-0.0 -1,-0.1 3,-0.0 -2,-0.1 -0.917 50.1 178.6-116.9 136.0 15.6 52.2 22.8 44 42 A V - 0 0 102 -2,-0.4 2,-0.2 32,-0.1 3,-0.0 -0.986 48.4-108.3-120.0 130.7 13.9 49.8 20.7 45 43 A P - 0 0 19 0, 0.0 31,-0.3 0, 0.0 3,-0.2 -0.416 18.2-142.0 -57.3 124.6 16.3 48.7 18.0 46 44 A K S S- 0 0 97 29,-1.4 2,-0.3 1,-0.2 30,-0.2 0.857 82.9 -5.4 -60.2 -26.1 15.0 50.3 14.9 47 45 A S E - G 0 75B 5 28,-1.5 28,-3.2 2,-0.0 2,-0.4 -0.963 54.4-154.9-166.4 145.4 16.1 47.0 13.3 48 46 A T E - G 0 74B 5 -17,-0.4 -17,-2.6 -2,-0.3 2,-0.5 -0.995 17.6-158.9-124.9 122.8 17.9 43.7 14.0 49 47 A I E -EG 30 73B 0 24,-2.7 24,-2.0 -2,-0.4 2,-0.4 -0.899 6.8-164.9-108.9 120.3 19.5 41.9 11.0 50 48 A K E +EG 29 72B 50 -21,-2.7 -21,-2.0 -2,-0.5 2,-0.4 -0.893 10.3 174.1-108.4 137.8 20.2 38.2 11.2 51 49 A T E - G 0 71B 0 20,-1.5 20,-2.5 -2,-0.4 2,-0.4 -0.997 19.5-145.2-140.5 129.4 22.5 36.2 8.9 52 50 A Q E - G 0 70B 20 -2,-0.4 -26,-2.0 18,-0.2 2,-0.4 -0.814 9.1-165.1 -92.8 132.1 23.6 32.6 9.1 53 51 A H E -CG 25 69B 0 16,-3.1 16,-2.6 -2,-0.4 2,-0.4 -0.981 7.7-170.8-108.4 131.5 27.1 31.5 8.0 54 52 A F E -CG 24 68B 0 -30,-2.7 -30,-3.1 -2,-0.4 2,-0.4 -0.995 3.8-171.3-125.9 126.8 27.6 27.7 7.5 55 53 A F E -CG 23 67B 5 12,-2.8 12,-2.2 -2,-0.4 2,-0.3 -0.904 9.4-179.9-121.0 143.7 31.0 26.2 6.9 56 54 A S E -CG 22 66B 1 -34,-2.1 -34,-2.5 -2,-0.4 2,-0.4 -0.995 12.5-153.5-137.6 140.0 32.2 22.7 6.0 57 55 A L E -CG 21 65B 2 8,-1.9 7,-2.3 -2,-0.3 8,-1.3 -0.925 11.6-162.6-115.8 141.2 35.8 21.5 5.4 58 56 A F E -CG 20 63B 0 -38,-3.3 -38,-2.0 -2,-0.4 2,-0.4 -0.934 10.1-175.6-124.2 145.0 36.8 18.6 3.2 59 57 A H E > S- G 0 62B 7 3,-2.2 3,-0.9 -2,-0.4 -40,-0.1 -0.984 72.5 -9.1-140.2 129.3 39.8 16.5 2.8 60 58 A Q T 3 S- 0 0 114 -42,-0.4 3,-0.1 -2,-0.4 -1,-0.1 0.845 129.9 -49.1 57.7 43.1 40.4 13.8 0.2 61 59 A G T 3 S+ 0 0 23 1,-0.2 2,-0.4 290,-0.1 -1,-0.3 0.675 118.8 104.3 73.5 17.0 36.9 13.8 -1.2 62 60 A K E < -G 59 0B 31 -3,-0.9 -3,-2.2 289,-0.1 286,-0.2 -0.990 68.5-127.6-131.4 133.0 35.3 13.6 2.3 63 61 A V E +G 58 0B 0 284,-2.0 -5,-0.2 -2,-0.4 32,-0.2 -0.456 37.1 157.4 -67.1 144.2 33.5 16.1 4.6 64 62 A F E + 0 0 3 -7,-2.3 29,-1.3 1,-0.4 30,-0.5 0.488 54.0 42.0-143.3 -16.3 35.0 16.1 8.1 65 63 A F E +GH 57 92B 2 -8,-1.3 -8,-1.9 27,-0.2 -1,-0.4 -0.990 53.5 177.4-138.1 142.9 34.3 19.5 9.8 66 64 A S E -GH 56 91B 0 25,-1.9 25,-1.9 -2,-0.3 2,-0.3 -0.990 3.7-173.8-148.7 149.8 31.2 21.8 10.0 67 65 A L E -GH 55 90B 0 -12,-2.2 -12,-2.8 -2,-0.3 2,-0.5 -0.998 8.3-160.6-148.6 129.6 30.4 25.1 11.8 68 66 A E E +GH 54 89B 5 21,-3.0 20,-1.8 -2,-0.3 21,-1.6 -0.975 19.6 170.4-120.1 123.2 27.2 27.1 12.2 69 67 A V E -GH 53 87B 0 -16,-2.6 -16,-3.1 -2,-0.5 2,-0.4 -0.970 18.4-155.5-136.3 140.8 27.4 30.7 13.1 70 68 A Y E -GH 52 86B 21 16,-2.6 16,-2.9 -2,-0.3 2,-0.5 -0.950 4.2-160.1-118.7 144.6 24.9 33.6 13.3 71 69 A V E -GH 51 85B 4 -20,-2.5 -20,-1.5 -2,-0.4 2,-0.4 -0.992 7.5-168.7-123.0 120.1 25.8 37.3 13.0 72 70 A Y E -GH 50 84B 3 12,-2.7 12,-2.5 -2,-0.5 2,-0.5 -0.914 5.9-164.4-106.6 136.1 23.2 39.8 14.3 73 71 A V E -GH 49 83B 0 -24,-2.0 -24,-2.7 -2,-0.4 2,-0.5 -0.990 11.1-161.0-115.3 117.7 23.6 43.5 13.6 74 72 A T E -GH 48 82B 14 8,-2.6 8,-2.0 -2,-0.5 2,-0.5 -0.887 2.8-159.5-103.1 129.2 21.4 45.6 15.9 75 73 A L E +GH 47 81B 0 -28,-3.2 -28,-1.5 -2,-0.5 -29,-1.4 -0.921 26.2 160.9-112.8 126.4 20.6 49.1 14.9 76 74 A W S S- 0 0 40 4,-1.8 2,-0.2 -2,-0.5 -1,-0.2 0.761 73.2 -24.4-103.3 -46.1 19.4 51.9 17.3 77 75 A D S S- 0 0 98 3,-1.4 -1,-0.4 -32,-0.1 -31,-0.0 -0.809 76.1 -78.6-146.6-174.9 20.3 54.9 15.1 78 76 A E S S+ 0 0 171 -2,-0.2 3,-0.0 1,-0.2 -1,-0.0 0.865 127.6 39.2 -53.3 -41.5 22.5 56.1 12.3 79 77 A A S S+ 0 0 82 73,-0.1 2,-0.4 1,-0.1 -1,-0.2 0.696 110.2 53.4 -94.8 -25.7 25.4 56.5 14.8 80 78 A D + 0 0 41 72,-0.1 -4,-1.8 76,-0.1 -3,-1.4 -0.949 56.1 148.8-124.7 138.9 25.2 53.5 17.1 81 79 A A E -H 75 0B 9 -2,-0.4 76,-0.8 -6,-0.2 2,-0.4 -0.972 25.7-147.0-159.8 157.9 25.1 49.8 16.4 82 80 A E E -Hi 74 157B 46 -8,-2.0 -8,-2.6 -2,-0.3 2,-0.4 -0.990 5.2-152.6-135.9 140.1 26.2 46.5 17.8 83 81 A R E -Hi 73 158B 10 74,-3.3 76,-2.2 -2,-0.4 2,-0.4 -0.951 11.0-170.1-114.5 143.0 27.3 43.2 16.2 84 82 A L E -Hi 72 159B 19 -12,-2.5 -12,-2.7 -2,-0.4 2,-0.7 -0.992 10.7-157.2-132.9 124.8 26.9 39.8 17.9 85 83 A I E -Hi 71 160B 2 74,-3.3 76,-1.9 -2,-0.4 2,-0.7 -0.907 9.9-166.7-101.0 114.7 28.4 36.5 16.8 86 84 A F E -Hi 70 161B 4 -16,-2.9 -16,-2.6 -2,-0.7 2,-0.9 -0.899 9.2-153.1-103.2 113.3 26.4 33.6 18.1 87 85 A V E +H 69 0B 7 74,-1.9 76,-0.5 -2,-0.7 -18,-0.2 -0.777 22.5 172.2 -88.0 108.0 28.4 30.3 17.6 88 86 A S E - 0 0 27 -20,-1.8 2,-0.3 -2,-0.9 -1,-0.2 0.913 53.2 -1.7 -88.2 -46.7 25.6 27.8 17.4 89 87 A K E +H 68 0B 46 -21,-1.6 -21,-3.0 2,-0.0 2,-0.3 -0.996 49.0 178.0-154.0 136.9 27.1 24.5 16.5 90 88 A A E +H 67 0B 17 -2,-0.3 2,-0.3 -23,-0.2 -23,-0.2 -0.966 19.6 166.6-137.3 150.9 30.5 22.9 15.6 91 89 A D E -H 66 0B 16 -25,-1.9 -25,-1.9 -2,-0.3 2,-0.3 -0.993 24.5-154.3-163.9 167.5 31.2 19.3 14.9 92 90 A T E -H 65 0B 37 -2,-0.3 -27,-0.2 -27,-0.2 80,-0.2 -0.933 6.3-160.9-143.5 149.7 33.5 16.6 13.5 93 91 A N - 0 0 0 -29,-1.3 88,-0.3 -2,-0.3 87,-0.1 0.515 39.1-121.0-113.1 -8.5 32.8 13.2 12.0 94 92 A G S S+ 0 0 13 -30,-0.5 2,-0.5 86,-0.2 -30,-0.1 0.508 76.2 122.0 78.8 5.9 36.2 11.4 12.5 95 93 A Y + 0 0 15 -32,-0.2 2,-0.4 -31,-0.1 -36,-0.2 -0.341 40.7 101.7 -98.8 51.6 36.5 10.8 8.7 96 94 A C - 0 0 30 -2,-0.5 4,-0.1 -32,-0.1 -36,-0.1 -0.999 52.2-162.8-129.4 131.4 39.8 12.7 8.1 97 95 A N + 0 0 105 -2,-0.4 2,-0.3 -38,-0.1 -1,-0.1 0.462 68.0 67.4-101.1 1.7 43.1 10.7 7.8 98 96 A T S S- 0 0 40 -39,-0.0 2,-0.4 0, 0.0 -2,-0.0 -0.828 89.0-101.3-113.8 160.8 45.6 13.5 8.4 99 97 A R + 0 0 236 -2,-0.3 2,-0.3 2,-0.0 -2,-0.1 -0.675 48.5 161.3 -82.4 126.9 46.3 15.4 11.6 100 98 A V - 0 0 34 -2,-0.4 2,-0.8 -87,-0.1 3,-0.1 -0.949 43.3-111.8-137.5 160.8 44.8 18.9 11.8 101 99 A S > - 0 0 30 -89,-0.5 4,-1.3 -2,-0.3 5,-0.1 -0.826 26.2-174.4 -96.1 105.2 44.0 21.4 14.5 102 100 A V H > S+ 0 0 39 -2,-0.8 4,-2.0 1,-0.2 -1,-0.2 0.820 84.7 51.4 -71.7 -28.4 40.2 21.7 14.7 103 101 A R H > S+ 0 0 90 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.869 108.3 49.7 -77.0 -36.1 40.4 24.5 17.3 104 102 A D H > S+ 0 0 23 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.753 111.6 51.2 -70.0 -27.0 42.8 26.6 15.2 105 103 A I H X S+ 0 0 0 -4,-1.3 4,-1.7 2,-0.2 -2,-0.2 0.892 112.7 44.3 -72.4 -46.2 40.4 26.1 12.2 106 104 A T H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.928 114.7 49.8 -63.2 -48.5 37.4 27.2 14.3 107 105 A K H X S+ 0 0 19 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.939 111.9 47.5 -50.4 -53.9 39.4 30.2 15.8 108 106 A I H X S+ 0 0 6 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.808 109.6 52.2 -68.9 -27.8 40.5 31.3 12.3 109 107 A I H X S+ 0 0 2 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.932 111.3 48.0 -69.6 -46.3 37.0 31.0 10.8 110 108 A L H X S+ 0 0 1 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.894 108.2 54.9 -57.4 -40.9 35.8 33.2 13.7 111 109 A E H X S+ 0 0 22 -4,-2.6 4,-1.0 1,-0.2 -1,-0.2 0.855 107.0 51.7 -62.6 -31.4 38.7 35.5 12.9 112 110 A F H < S+ 0 0 0 -4,-1.6 3,-0.5 2,-0.2 4,-0.5 0.926 108.6 49.7 -65.7 -48.1 37.4 35.7 9.3 113 111 A I H >< S+ 0 0 3 -4,-2.2 3,-1.4 1,-0.2 -2,-0.2 0.911 107.5 54.7 -57.3 -41.6 33.9 36.6 10.5 114 112 A L H 3< S+ 0 0 10 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.810 102.1 58.2 -64.1 -30.1 35.2 39.3 12.8 115 113 A S T 3< S+ 0 0 33 -4,-1.0 198,-1.9 -3,-0.5 197,-1.0 0.515 83.1 106.3 -77.8 -8.8 37.1 41.0 9.8 116 114 A I B < S-n 313 0D 0 -3,-1.4 198,-0.2 -4,-0.5 5,-0.0 -0.601 78.4-119.2 -73.0 128.8 33.8 41.4 7.9 117 115 A D > - 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0 0 58 1,-0.1 4,-2.1 5,-0.0 3,-0.1 -0.135 32.7 -91.6 -77.3-176.7 33.9 37.9 -2.3 317 346 A S T 4 S+ 0 0 105 1,-0.2 -1,-0.1 2,-0.2 5,-0.0 0.675 131.1 55.7 -74.4 -22.3 32.4 35.0 -4.2 318 347 A A T 4 S+ 0 0 38 1,-0.1 -1,-0.2 3,-0.0 3,-0.1 0.760 110.2 46.7 -70.8 -31.2 35.5 33.0 -3.3 319 348 A D T 4 S+ 0 0 7 1,-0.2 2,-0.3 -3,-0.1 -2,-0.2 0.878 125.8 7.7 -78.1 -42.9 34.8 33.9 0.5 320 349 A V < - 0 0 8 -4,-2.1 2,-0.5 -298,-0.0 -1,-0.2 -0.984 55.7-144.6-142.3 152.4 31.1 33.0 0.5 321 350 A I B -d 24 0B 22 -298,-2.2 -296,-1.9 -2,-0.3 -4,-0.1 -0.989 16.3-166.2-115.5 124.2 28.3 31.5 -1.6 322 351 A V - 0 0 58 -2,-0.5 -296,-0.1 -298,-0.2 -298,-0.1 -0.887 14.5-143.2-114.1 96.1 24.9 33.1 -1.1 323 352 A P - 0 0 3 0, 0.0 -296,-0.1 0, 0.0 6,-0.1 -0.210 17.1-123.1 -52.8 149.1 22.1 31.0 -2.6 324 353 A K S S+ 0 0 186 -298,-0.1 2,-0.3 4,-0.0 3,-0.1 0.654 89.7 36.6 -66.3 -19.7 19.2 32.8 -4.3 325 354 A S S > S- 0 0 55 1,-0.1 4,-1.6 -299,-0.0 5,-0.1 -0.908 71.9-126.9-138.5 155.8 16.6 31.1 -2.0 326 355 A R H > S+ 0 0 173 -2,-0.3 4,-2.6 2,-0.2 5,-0.2 0.848 116.3 53.5 -63.7 -38.6 16.0 30.0 1.5 327 356 A K H > S+ 0 0 170 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.843 109.1 47.1 -65.3 -38.2 15.1 26.6 -0.1 328 357 A Q H > S+ 0 0 44 2,-0.2 4,-1.9 3,-0.2 -1,-0.2 0.845 111.3 52.1 -70.8 -34.1 18.3 26.4 -2.0 329 358 A F H X S+ 0 0 11 -4,-1.6 4,-2.4 1,-0.2 -2,-0.2 0.983 113.6 43.6 -62.2 -54.2 20.2 27.4 1.3 330 359 A R H X S+ 0 0 128 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.769 110.6 55.6 -59.4 -38.1 18.5 24.6 3.2 331 360 A A H X S+ 0 0 36 -4,-1.7 4,-1.0 2,-0.2 -1,-0.2 0.925 110.9 43.7 -63.9 -48.3 19.0 22.0 0.4 332 361 A I H >X S+ 0 0 0 -4,-1.9 3,-1.0 1,-0.2 4,-0.6 0.960 115.6 47.4 -62.6 -53.2 22.8 22.6 0.3 333 362 A K H >X S+ 0 0 33 -4,-2.4 4,-2.5 1,-0.2 3,-1.6 0.886 106.3 60.1 -53.3 -40.4 23.1 22.5 4.1 334 363 A K H 3X S+ 0 0 140 -4,-2.1 4,-2.4 1,-0.3 -1,-0.2 0.736 90.8 67.5 -69.4 -22.5 20.9 19.4 4.2 335 364 A Y H << S+ 0 0 74 -4,-1.0 -1,-0.3 -3,-1.0 -2,-0.2 0.779 113.0 33.6 -58.2 -30.0 23.4 17.4 2.1 336 365 A I H X< S+ 0 0 0 -3,-1.6 3,-0.8 -4,-0.6 -2,-0.2 0.897 129.0 34.1 -87.9 -55.0 25.8 17.8 5.1 337 366 A T H 3< S+ 0 0 43 -4,-2.5 -3,-0.2 1,-0.2 -2,-0.2 0.661 113.1 56.7 -79.6 -20.2 23.3 17.6 8.0 338 367 A G T 3< S+ 0 0 52 -4,-2.4 -1,-0.2 -5,-0.3 -3,-0.1 0.424 90.2 97.4 -91.5 2.1 20.7 15.1 6.5 339 368 A E S < S- 0 0 32 -3,-0.8 2,-0.4 -5,-0.1 7,-0.1 -0.441 74.4-117.7 -93.3 158.9 23.3 12.4 5.9 340 369 A E - 0 0 92 -2,-0.1 3,-0.3 -168,-0.1 -166,-0.2 -0.875 21.0-172.3-100.3 133.1 24.2 9.3 8.0 341 370 A Y + 0 0 0 -168,-2.9 -167,-0.1 -2,-0.4 -163,-0.1 0.067 54.6 107.3-117.9 22.3 27.8 9.1 9.3 342 371 A D S S+ 0 0 79 -169,-0.1 2,-0.3 -165,-0.1 -1,-0.2 0.724 90.9 34.2 -67.5 -21.7 27.9 5.6 10.8 343 372 A T S >> S- 0 0 72 -3,-0.3 3,-1.5 -165,-0.1 4,-0.6 -0.917 89.6-112.6-130.0 157.1 30.2 4.8 7.8 344 373 A E H >> S+ 0 0 89 -2,-0.3 4,-1.6 1,-0.3 3,-0.6 0.789 108.2 78.8 -58.7 -25.3 32.7 6.7 5.7 345 374 A E H 3> S+ 0 0 147 1,-0.2 4,-2.8 2,-0.2 -1,-0.3 0.840 86.8 56.8 -52.7 -37.5 30.3 6.5 2.9 346 375 A G H <> S+ 0 0 2 -3,-1.5 4,-2.1 1,-0.2 -1,-0.2 0.883 105.1 50.7 -59.3 -41.1 28.2 9.4 4.4 347 376 A A H