==== 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 CARBOXYPEPTIDASE 13-FEB-97 1AC5 . COMPND 2 MOLECULE: KEX1(DELTA)P; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR B.H.SHILTON,D.Y.THOMAS,M.CYGLER . 483 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20626.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 334 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 8.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 49 10.1 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 . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.8 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 . 41 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 73 15.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 106 21.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.0 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 3 1 3 1 1 1 1 1 0 0 0 0 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 2 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 PARALLEL BRIDGES PER LADDER . 2 1 2 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 3 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 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 L 0 0 98 0, 0.0 33,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 139.6 -10.4 -4.6 -11.0 2 2 A P - 0 0 48 0, 0.0 2,-0.1 0, 0.0 5,-0.0 -0.268 360.0-104.1 -65.2 154.0 -11.3 -0.9 -11.1 3 3 A S > - 0 0 42 1,-0.1 3,-1.0 159,-0.0 4,-0.3 -0.355 27.1-110.5 -74.9 162.4 -8.7 1.5 -12.6 4 4 A S G >> S+ 0 0 31 157,-0.4 3,-1.4 1,-0.2 4,-0.6 0.836 117.7 62.7 -62.3 -30.9 -6.6 3.7 -10.3 5 5 A E G 34 S+ 0 0 118 1,-0.3 3,-0.5 2,-0.2 -1,-0.2 0.756 93.2 63.1 -65.7 -26.2 -8.5 6.8 -11.6 6 6 A E G <4 S+ 0 0 119 -3,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.636 102.4 51.0 -73.1 -15.6 -11.7 5.4 -10.1 7 7 A Y T <4 S+ 0 0 12 -3,-1.4 24,-1.8 -4,-0.3 -1,-0.2 0.590 81.1 122.2 -96.4 -14.7 -10.2 5.7 -6.7 8 8 A K B < -A 30 0A 106 -4,-0.6 2,-0.5 -3,-0.5 22,-0.3 -0.178 50.4-150.5 -52.2 137.1 -9.1 9.3 -7.0 9 9 A V - 0 0 11 20,-1.6 2,-0.6 323,-0.1 20,-0.4 -0.966 9.8-136.3-115.7 119.9 -10.5 11.7 -4.4 10 10 A A > - 0 0 38 -2,-0.5 3,-1.9 321,-0.2 4,-0.3 -0.677 14.7-141.2 -76.1 120.7 -11.1 15.3 -5.3 11 11 A Y G > S+ 0 0 86 -2,-0.6 3,-2.0 1,-0.3 6,-0.3 0.825 94.7 65.5 -52.4 -38.6 -9.8 17.4 -2.4 12 12 A E G 3 S+ 0 0 108 1,-0.3 -1,-0.3 5,-0.1 6,-0.2 0.716 92.2 65.1 -60.4 -19.6 -12.6 20.0 -2.5 13 13 A L G < S+ 0 0 94 -3,-1.9 -1,-0.3 2,-0.1 -2,-0.2 0.651 85.1 84.8 -77.5 -16.4 -15.2 17.2 -1.6 14 14 A L S X S- 0 0 1 -3,-2.0 3,-2.3 -4,-0.3 4,-0.4 -0.813 93.7-106.7 -95.0 118.4 -13.6 16.8 1.9 15 15 A P T 3 S+ 0 0 22 0, 0.0 85,-2.7 0, 0.0 -2,-0.1 -0.099 101.7 12.2 -43.7 115.5 -14.8 19.2 4.6 16 16 A G T > S+ 0 0 7 83,-0.3 3,-1.1 -4,-0.2 4,-0.4 0.046 96.7 99.0 104.2 -24.5 -12.1 21.7 5.3 17 17 A L G X S+ 0 0 1 -3,-2.3 3,-0.5 -6,-0.3 -5,-0.1 0.736 77.7 58.5 -69.9 -24.3 -9.7 21.1 2.4 18 18 A S G 3 S+ 0 0 69 -4,-0.4 -1,-0.3 -6,-0.2 -6,-0.1 0.586 102.4 58.6 -78.2 -10.0 -10.9 24.1 0.3 19 19 A E G < S+ 0 0 123 -3,-1.1 -1,-0.2 81,-0.2 -2,-0.2 0.611 74.5 116.5 -91.2 -17.2 -10.0 26.2 3.3 20 20 A V < - 0 0 15 -3,-0.5 6,-0.1 -4,-0.4 5,-0.0 -0.391 67.7-135.8 -59.0 119.7 -6.3 25.2 3.2 21 21 A P S S+ 0 0 133 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.824 93.6 35.2 -43.5 -47.2 -4.3 28.4 2.5 22 22 A D > - 0 0 66 1,-0.1 3,-1.8 2,-0.0 4,-0.2 -0.903 63.9-169.6-121.5 105.3 -2.0 26.6 -0.0 23 23 A P T 3 S+ 0 0 66 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.468 83.9 71.9 -67.1 -6.7 -3.7 23.8 -2.2 24 24 A S T 3 S+ 0 0 87 1,-0.2 -2,-0.0 35,-0.0 35,-0.0 0.617 90.2 59.6 -84.8 -12.7 -0.2 22.8 -3.4 25 25 A N S < S+ 0 0 104 -3,-1.8 -1,-0.2 2,-0.1 34,-0.0 0.529 83.5 94.9 -88.1 -12.2 0.5 21.3 0.1 26 26 A I S S- 0 0 18 -3,-0.3 3,-0.1 -4,-0.2 -15,-0.1 -0.739 77.1-129.5 -83.0 124.6 -2.5 18.9 -0.1 27 27 A P - 0 0 16 0, 0.0 31,-0.2 0, 0.0 2,-0.2 -0.226 24.3 -94.4 -72.6 162.5 -1.3 15.5 -1.4 28 28 A Q E - B 0 57A 91 29,-2.0 29,-2.6 30,-0.4 2,-0.3 -0.518 50.5-148.4 -72.6 144.2 -2.9 13.5 -4.2 29 29 A M E + B 0 56A 4 -20,-0.4 -20,-1.6 27,-0.2 2,-0.3 -0.912 27.0 175.0-128.8 152.4 -5.4 11.0 -2.9 30 30 A H E +AB 8 55A 11 25,-1.5 25,-3.0 -2,-0.3 2,-0.3 -0.984 18.0 157.1-144.7 139.5 -6.9 7.5 -3.6 31 31 A A E + B 0 54A 0 -24,-1.8 2,-0.3 -2,-0.3 23,-0.2 -0.987 16.2 81.5-162.7 157.9 -9.4 5.6 -1.4 32 32 A G E S- B 0 53A 0 21,-1.4 21,-1.4 -2,-0.3 2,-0.4 -0.906 71.1 -31.7 140.8-167.8 -12.0 2.9 -1.5 33 33 A H E - B 0 52A 34 300,-0.7 19,-0.2 -2,-0.3 -2,-0.1 -0.753 40.9-171.1 -93.5 131.4 -12.6 -0.8 -1.4 34 34 A I E - B 0 51A 0 17,-2.2 17,-1.8 -2,-0.4 124,-0.1 -0.988 25.3-126.3-120.8 122.4 -10.1 -3.3 -2.9 35 35 A P E - B 0 50A 36 0, 0.0 15,-0.2 0, 0.0 122,-0.2 -0.236 6.7-151.8 -64.7 155.5 -11.2 -7.0 -3.1 36 36 A L + 0 0 4 13,-2.1 2,-0.2 2,-0.1 14,-0.1 0.744 68.6 96.5 -97.9 -30.4 -9.1 -9.7 -1.6 37 37 A R S S- 0 0 123 12,-0.5 4,-0.1 10,-0.2 2,-0.1 -0.425 77.0-122.8 -65.0 130.0 -10.3 -12.5 -4.0 38 38 A S - 0 0 29 -2,-0.2 3,-0.4 2,-0.1 -1,-0.1 -0.310 3.6-136.7 -75.2 153.1 -7.9 -13.0 -6.9 39 39 A E S S+ 0 0 128 1,-0.3 2,-1.3 -2,-0.1 -1,-0.1 0.817 107.4 60.9 -74.5 -33.4 -8.7 -12.7 -10.6 40 40 A D S S+ 0 0 89 2,-0.0 2,-0.3 0, 0.0 -1,-0.3 -0.496 90.1 111.7 -91.1 59.9 -6.6 -15.9 -11.1 41 41 A A S S- 0 0 49 -2,-1.3 -4,-0.0 -3,-0.4 0, 0.0 -0.993 74.9 -89.4-138.3 146.5 -8.9 -17.8 -8.8 42 42 A D - 0 0 74 -2,-0.3 3,-0.4 1,-0.1 -2,-0.0 -0.110 31.8-122.6 -54.0 143.9 -11.4 -20.7 -9.3 43 43 A E S S+ 0 0 114 1,-0.2 -1,-0.1 3,-0.1 -2,-0.0 0.705 108.3 59.1 -60.9 -23.2 -15.1 -19.8 -10.0 44 44 A Q S S+ 0 0 90 1,-0.1 2,-1.4 2,-0.0 -1,-0.2 0.893 79.7 88.5 -75.4 -42.2 -16.2 -21.8 -6.9 45 45 A D - 0 0 57 -3,-0.4 2,-1.4 1,-0.1 -1,-0.1 -0.414 57.9-174.1 -63.6 90.2 -14.3 -19.8 -4.3 46 46 A S + 0 0 93 -2,-1.4 2,-0.3 2,-0.0 -1,-0.1 -0.382 13.7 166.4 -87.2 57.8 -16.8 -17.0 -3.5 47 47 A S - 0 0 47 -2,-1.4 -10,-0.2 1,-0.1 -11,-0.0 -0.581 13.4-178.9 -74.2 131.8 -14.7 -14.9 -1.2 48 48 A D + 0 0 95 -2,-0.3 2,-0.2 -12,-0.1 -1,-0.1 0.202 30.3 133.4-119.0 16.4 -16.3 -11.4 -0.7 49 49 A L + 0 0 23 -14,-0.0 -13,-2.1 71,-0.0 -12,-0.5 -0.438 27.7 179.7 -74.5 140.4 -13.8 -9.7 1.6 50 50 A E E -B 35 0A 69 -15,-0.2 2,-0.3 -2,-0.2 -17,-0.0 -0.994 15.0-150.2-144.4 132.9 -12.6 -6.1 0.9 51 51 A Y E -B 34 0A 0 -17,-1.8 -17,-2.2 -2,-0.3 2,-0.3 -0.756 15.5-134.0-100.4 147.6 -10.2 -3.8 2.7 52 52 A F E +B 33 0A 0 65,-0.4 65,-2.4 -2,-0.3 2,-0.3 -0.783 28.0 178.6 -98.8 146.1 -10.5 -0.0 2.7 53 53 A F E -BC 32 116A 0 -21,-1.4 -21,-1.4 -2,-0.3 2,-0.4 -0.955 22.0-157.1-143.2 161.8 -7.4 2.1 2.1 54 54 A W E -BC 31 115A 0 61,-1.8 61,-2.4 -2,-0.3 2,-0.4 -0.939 16.2-166.0-143.8 110.9 -6.4 5.8 1.8 55 55 A K E -BC 30 114A 4 -25,-3.0 -25,-1.5 -2,-0.4 2,-0.5 -0.845 5.6-161.4-103.5 140.6 -3.3 6.6 -0.1 56 56 A F E -BC 29 113A 0 57,-2.9 57,-2.0 -2,-0.4 2,-0.3 -0.983 15.8-168.9-122.8 119.1 -1.5 10.0 -0.1 57 57 A T E -B 28 0A 19 -29,-2.6 -29,-2.0 -2,-0.5 51,-0.0 -0.749 17.8-113.3-112.9 158.3 0.9 10.8 -2.9 58 58 A N - 0 0 51 -2,-0.3 -30,-0.4 -31,-0.2 -1,-0.2 0.226 24.9-119.0 -68.5-166.0 3.6 13.4 -3.7 59 59 A N S S+ 0 0 108 1,-0.2 2,-0.3 -32,-0.1 -1,-0.1 0.852 80.5 46.6-108.2 -56.2 3.5 16.1 -6.4 60 60 A D - 0 0 50 1,-0.1 -1,-0.2 3,-0.0 4,-0.1 -0.760 58.8-145.6-101.0 144.3 6.4 15.8 -9.0 61 61 A S S > S+ 0 0 94 -2,-0.3 3,-1.0 1,-0.2 -1,-0.1 0.888 104.2 49.3 -67.4 -42.4 7.7 12.7 -10.8 62 62 A N G > S+ 0 0 95 1,-0.2 3,-0.9 2,-0.2 -1,-0.2 0.878 111.0 50.2 -64.9 -39.8 11.3 13.9 -10.7 63 63 A G G 3 S+ 0 0 56 1,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.377 106.4 57.2 -81.9 5.3 11.1 14.7 -7.0 64 64 A N G < S+ 0 0 20 -3,-1.0 -1,-0.2 -4,-0.1 -2,-0.2 0.206 73.5 109.6-119.1 14.6 9.6 11.2 -6.2 65 65 A V S < S+ 0 0 84 -3,-0.9 -2,-0.1 1,-0.2 -1,-0.1 0.970 89.4 20.4 -54.8 -72.7 12.4 9.1 -7.6 66 66 A D S S+ 0 0 121 102,-0.1 -1,-0.2 2,-0.0 103,-0.1 0.613 97.7 124.8 -78.4 -8.9 14.2 7.5 -4.6 67 67 A R - 0 0 31 1,-0.1 102,-0.3 101,-0.1 44,-0.1 -0.244 55.7-128.6 -60.2 127.4 11.2 8.1 -2.3 68 68 A P - 0 0 21 0, 0.0 44,-2.0 0, 0.0 2,-0.8 -0.318 9.1-123.7 -78.9 153.1 9.6 5.1 -0.3 69 69 A L E -de 112 170A 0 100,-3.1 102,-2.2 42,-0.2 2,-0.7 -0.884 30.0-156.6 -96.8 109.9 6.0 3.9 -0.1 70 70 A I E -de 113 171A 0 42,-3.5 44,-2.6 -2,-0.8 2,-0.4 -0.827 4.2-160.8 -95.8 113.3 5.2 3.9 3.6 71 71 A I E -de 114 172A 1 100,-2.9 102,-2.8 -2,-0.7 2,-0.4 -0.757 8.6-157.7 -90.6 135.7 2.4 1.5 4.6 72 72 A W E -de 115 173A 3 42,-2.8 44,-1.5 -2,-0.4 2,-0.4 -0.975 10.8-177.7-120.8 131.6 0.8 2.3 8.0 73 73 A L E - e 0 174A 0 100,-1.7 102,-1.5 -2,-0.4 105,-0.2 -0.991 11.7-151.5-130.4 126.5 -1.1 -0.2 10.1 74 74 A N - 0 0 2 -2,-0.4 4,-0.2 42,-0.4 7,-0.1 -0.390 15.8-134.6 -87.9 172.8 -2.9 0.5 13.4 75 75 A G >> + 0 0 2 5,-0.1 4,-2.4 2,-0.1 3,-0.7 0.451 55.4 104.8 -99.7-126.5 -3.4 -2.1 16.2 76 76 A G T 34 S- 0 0 43 1,-0.3 2,-0.2 2,-0.2 -1,-0.1 -0.816 93.0-100.6 121.1 -91.1 -6.2 -3.2 18.5 77 77 A P T 34 S+ 0 0 17 0, 0.0 273,-0.6 0, 0.0 -1,-0.3 0.549 120.1 31.1 -66.9 153.0 -6.7 -5.7 16.9 78 78 A G T <4 S+ 0 0 0 -3,-0.7 268,-2.2 40,-0.4 45,-0.5 0.418 83.9 133.9 110.7 0.3 -9.7 -3.9 15.3 79 79 A a B < -M 345 0B 17 -4,-2.4 39,-0.4 266,-0.3 -1,-0.3 -0.722 57.3-115.9 -91.0 129.9 -8.4 -0.3 15.3 80 80 A S > - 0 0 0 264,-3.0 3,-1.4 -2,-0.4 4,-0.3 -0.334 7.4-137.6 -62.7 137.3 -8.8 1.7 12.1 81 81 A S T 3> S+ 0 0 1 1,-0.3 4,-1.5 2,-0.2 -1,-0.1 0.330 94.9 86.5 -77.5 8.3 -5.7 2.8 10.3 82 82 A M H 3> S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.514 77.4 67.2 -81.7 -8.8 -7.5 6.1 9.8 83 83 A D H <>>S+ 0 0 1 -3,-1.4 4,-2.2 2,-0.2 5,-0.7 0.898 103.4 43.8 -72.6 -43.0 -6.1 7.0 13.2 84 84 A G H >5S+ 0 0 0 -4,-0.3 6,-2.9 3,-0.2 4,-0.7 0.916 116.5 48.3 -66.4 -41.3 -2.8 7.0 11.6 85 85 A A H <5S+ 0 0 0 -4,-1.5 7,-1.1 4,-0.2 -2,-0.2 0.838 129.4 16.3 -67.9 -39.7 -4.2 8.9 8.6 86 86 A L H <5S+ 0 0 1 -4,-2.2 8,-0.5 5,-0.1 -2,-0.2 0.446 134.1 33.5-118.3 -1.6 -6.0 11.7 10.6 87 87 A V H <5S+ 0 0 1 -4,-2.2 -3,-0.2 -5,-0.2 -2,-0.1 0.441 124.3 14.8-131.0 -4.9 -4.7 11.6 14.1 88 88 A E S < - 0 0 53 4,-2.8 3,-1.9 -2,-0.5 4,-0.1 -0.174 39.8 -86.6 -79.4 178.9 -10.7 20.1 14.3 96 96 A S T 3 S+ 0 0 69 1,-0.3 -1,-0.1 2,-0.1 225,-0.0 0.726 126.3 58.3 -59.1 -24.7 -13.7 20.3 16.7 97 97 A D T 3 S- 0 0 110 2,-0.1 -1,-0.3 224,-0.0 3,-0.1 0.169 119.9-106.4 -92.2 18.2 -16.0 21.1 13.8 98 98 A G S < S+ 0 0 0 -3,-1.9 2,-0.3 1,-0.2 -2,-0.1 0.749 77.2 137.5 64.8 24.0 -15.1 17.9 11.9 99 99 A K - 0 0 84 -4,-0.1 -4,-2.8 -83,-0.1 -83,-0.3 -0.821 50.7-122.9-103.7 143.0 -13.1 19.9 9.4 100 100 A L E +N 94 0C 5 -85,-2.7 2,-0.3 -2,-0.3 -6,-0.2 -0.525 29.0 174.6 -85.1 151.1 -9.7 18.8 8.1 101 101 A Y E -N 93 0C 100 -8,-1.9 -8,-2.3 -2,-0.2 -84,-0.1 -0.980 38.3 -83.9-151.6 150.2 -6.5 20.8 8.3 102 102 A L E -N 92 0C 34 -2,-0.3 2,-0.7 -10,-0.2 -10,-0.3 -0.230 29.9-134.1 -60.7 143.1 -2.8 20.1 7.4 103 103 A N > - 0 0 22 -12,-2.6 3,-1.6 1,-0.1 -1,-0.1 -0.896 12.7-157.1 -99.3 108.1 -0.5 18.2 9.8 104 104 A E T 3 S+ 0 0 159 -2,-0.7 -1,-0.1 1,-0.3 -2,-0.0 0.773 91.0 44.5 -57.2 -31.3 2.8 20.2 9.7 105 105 A G T 3 S+ 0 0 3 -15,-0.1 -1,-0.3 346,-0.1 354,-0.2 0.035 83.0 146.2-105.9 28.7 4.8 17.2 10.9 106 106 A S X - 0 0 1 -3,-1.6 3,-1.2 -15,-0.1 -16,-0.2 -0.261 57.0-126.5 -66.0 149.8 3.3 14.6 8.6 107 107 A W G >> S+ 0 0 0 -18,-1.9 3,-1.5 1,-0.2 4,-1.2 0.405 92.9 94.8 -74.5 -0.3 5.4 11.7 7.3 108 108 A I G 34 S+ 0 0 32 -19,-0.4 -1,-0.2 1,-0.3 -18,-0.1 0.779 76.0 63.0 -63.4 -23.5 4.2 12.7 3.8 109 109 A S G <4 S+ 0 0 56 -3,-1.2 -1,-0.3 1,-0.2 -2,-0.1 0.633 108.9 39.7 -75.8 -14.2 7.5 14.7 3.5 110 110 A K T <4 S- 0 0 32 -3,-1.5 2,-0.3 1,-0.4 -1,-0.2 0.583 130.6 -21.1-108.1 -18.3 9.6 11.5 3.8 111 111 A G S < S- 0 0 0 -4,-1.2 -1,-0.4 -44,-0.1 2,-0.2 -0.973 73.4 -78.2-178.2 167.5 7.5 9.2 1.7 112 112 A D E - d 0 69A 0 -44,-2.0 -42,-3.5 -2,-0.3 2,-0.4 -0.606 50.3-133.5 -80.1 145.3 4.1 8.4 0.2 113 113 A L E -Cd 56 70A 3 -57,-2.0 -57,-2.9 -2,-0.2 2,-0.5 -0.863 22.0-175.0-112.1 140.6 1.6 7.0 2.6 114 114 A L E -Cd 55 71A 0 -44,-2.6 -42,-2.8 -2,-0.4 2,-0.6 -0.955 8.4-167.3-130.0 108.7 -0.8 4.0 2.4 115 115 A F E -Cd 54 72A 0 -61,-2.4 -61,-1.8 -2,-0.5 2,-0.5 -0.876 8.3-169.6 -99.8 123.3 -3.2 3.5 5.3 116 116 A I E -C 53 0A 0 -44,-1.5 2,-0.6 -2,-0.6 -42,-0.4 -0.960 17.7-142.5-119.4 122.6 -5.0 0.1 5.3 117 117 A D - 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0 0 88 -2,-0.3 3,-2.4 -3,-0.1 6,-0.2 -0.886 48.7 -82.2-141.4 174.9 4.8 1.8 45.7 236 236 A E T 3 S+ 0 0 167 1,-0.3 6,-0.1 -2,-0.3 5,-0.1 0.646 118.5 65.5 -51.1 -21.7 5.1 -0.5 48.7 237 237 A S T 3 S+ 0 0 93 4,-0.1 -1,-0.3 3,-0.1 -3,-0.0 0.556 73.7 106.8 -82.9 -9.5 2.6 1.7 50.6 238 238 A N S X S- 0 0 35 -3,-2.4 3,-1.7 1,-0.1 4,-0.4 -0.527 74.6-132.0 -70.3 134.1 -0.4 0.9 48.3 239 239 A P T 3 S+ 0 0 111 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.753 107.2 43.3 -58.7 -26.3 -2.8 -1.5 50.1 240 240 A N T 3> S+ 0 0 57 41,-0.2 4,-1.6 1,-0.2 3,-0.4 0.255 80.7 103.9-105.2 12.4 -3.0 -3.7 47.0 241 241 A F H <> S+ 0 0 27 -3,-1.7 4,-2.0 1,-0.2 5,-0.2 0.872 78.8 55.9 -60.4 -38.4 0.8 -3.7 46.2 242 242 A K H > S+ 0 0 176 -4,-0.4 4,-1.6 -3,-0.2 -1,-0.2 0.823 106.3 50.4 -63.4 -34.9 1.1 -7.2 47.6 243 243 A H H > S+ 0 0 105 -3,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.857 110.4 48.5 -72.4 -37.4 -1.6 -8.5 45.2 244 244 A L H X S+ 0 0 1 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.835 110.6 51.8 -70.6 -34.5 0.1 -6.9 42.2 245 245 A T H X S+ 0 0 35 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.881 111.0 48.1 -67.5 -38.2 3.5 -8.4 43.3 246 246 A N H X S+ 0 0 88 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.907 111.2 49.7 -68.1 -43.7 1.8 -11.8 43.6 247 247 A A H X S+ 0 0 3 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.900 111.4 49.9 -61.8 -42.1 0.2 -11.5 40.1 248 248 A H H X S+ 0 0 29 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.939 112.2 45.9 -62.0 -50.1 3.6 -10.5 38.7 249 249 A E H X S+ 0 0 102 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.804 109.5 55.1 -64.7 -32.2 5.4 -13.4 40.2 250 250 A N H X S+ 0 0 55 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.955 111.4 45.3 -63.5 -48.1 2.7 -15.8 39.1 251 251 A b H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.929 112.5 51.2 -58.7 -47.2 3.2 -14.5 35.6 252 252 A Q H X S+ 0 0 61 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.899 111.2 47.5 -57.8 -44.8 7.0 -14.8 36.0 253 253 A N H X S+ 0 0 100 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.854 108.9 53.5 -67.2 -37.1 6.8 -18.4 37.2 254 254 A L H X S+ 0 0 32 -4,-2.2 4,-2.7 1,-0.2 5,-0.3 0.893 111.5 47.2 -63.5 -40.5 4.4 -19.4 34.4 255 255 A I H < S+ 0 0 35 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.873 111.9 48.4 -69.4 -40.2 7.0 -18.0 31.9 256 256 A N H < S+ 0 0 114 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.843 117.0 43.6 -69.3 -35.6 10.0 -19.8 33.5 257 257 A S H < S+ 0 0 57 -4,-2.0 -2,-0.2 -5,-0.2 -3,-0.2 0.965 72.4 176.5 -71.5 -56.6 8.1 -23.1 33.6 258 258 A A < + 0 0 57 -4,-2.7 -3,-0.1 -5,-0.2 -4,-0.1 0.810 54.5 99.9 51.6 33.8 6.6 -22.9 30.1 259 259 A S + 0 0 100 -5,-0.3 -1,-0.1 5,-0.0 -4,-0.1 0.543 48.3 96.3-122.8 -14.9 5.2 -26.3 30.8 260 260 A T S > S- 0 0 61 -6,-0.3 3,-1.8 1,-0.1 4,-0.2 -0.216 92.1 -98.8 -70.4 170.2 1.6 -25.8 31.8 261 261 A D G > S+ 0 0 127 1,-0.3 3,-1.7 2,-0.2 4,-0.2 0.795 122.4 66.9 -62.6 -26.6 -1.1 -26.2 29.1 262 262 A E G > S+ 0 0 54 1,-0.3 3,-1.5 2,-0.2 -1,-0.3 0.684 81.9 77.1 -66.9 -17.0 -1.2 -22.4 28.7 263 263 A A G < S+ 0 0 38 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.635 88.7 58.4 -66.5 -14.3 2.3 -22.7 27.3 264 264 A A G < S+ 0 0 55 -3,-1.7 -1,-0.3 -4,-0.2 -2,-0.2 0.607 97.3 84.0 -89.0 -13.3 0.7 -23.9 24.1 265 265 A H S < S- 0 0 99 -3,-1.5 3,-0.1 -4,-0.2 90,-0.1 -0.317 94.6-103.5 -89.0 169.7 -1.3 -20.7 23.8 266 266 A F S S- 0 0 27 88,-0.4 2,-0.3 89,-0.3 -1,-0.1 0.927 96.6 -21.5 -56.1 -47.9 -0.5 -17.3 22.4 267 267 A S S S- 0 0 25 -50,-0.1 2,-0.4 92,-0.1 -1,-0.1 -0.909 76.1 -85.1-154.3 174.9 0.0 -15.9 25.9 268 268 A Y > - 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