==== 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 PEPTIDE BINDING PROTEIN 13-NOV-07 3BCZ . COMPND 2 MOLECULE: PROTEIN MEMO1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.QIU . 1171 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45771.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 843 72.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 120 10.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 109 9.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.3 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 . 86 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 126 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 345 29.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 1.6 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 4 4 1 3 0 4 5 3 0 4 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 4 4 4 4 0 4 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 9 6 1 0 0 0 0 4 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 . 4 4 0 0 0 0 0 4 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 5 A V 0 0 139 0, 0.0 3,-0.1 0, 0.0 89,-0.0 0.000 360.0 360.0 360.0 127.1 -33.3 -17.1 31.0 2 6 A V + 0 0 84 87,-0.1 89,-2.0 1,-0.1 88,-1.8 0.549 360.0 66.2-111.1 -10.2 -29.6 -17.7 31.7 3 7 A C E -a 91 0A 31 87,-0.2 2,-0.6 86,-0.2 89,-0.2 -0.939 66.4-143.0-123.1 134.2 -29.1 -20.9 29.6 4 8 A R E -a 92 0A 3 87,-2.4 89,-2.4 -2,-0.4 2,-0.1 -0.843 32.5-129.9 -86.3 120.2 -29.3 -21.6 25.9 5 9 A E - 0 0 87 -2,-0.6 2,-2.1 87,-0.1 3,-0.1 -0.396 20.8-109.8 -70.1 153.5 -30.9 -25.0 25.5 6 10 A A > + 0 0 22 1,-0.2 3,-1.3 2,-0.1 -1,-0.1 -0.566 49.7 175.7 -80.8 80.4 -29.2 -27.6 23.3 7 11 A S T 3 S+ 0 0 52 -2,-2.1 -1,-0.2 1,-0.3 120,-0.1 0.624 70.0 45.7 -76.1 -13.7 -32.0 -27.1 20.9 8 12 A H T >>>S+ 0 0 26 -3,-0.1 4,-2.3 118,-0.1 3,-1.5 0.370 81.7 122.7-107.3 0.9 -30.6 -29.4 18.1 9 13 A A B <45S+c 13 0B 29 -3,-1.3 5,-0.2 1,-0.2 6,-0.1 -0.454 71.5 29.6 -55.9 127.0 -29.7 -32.2 20.4 10 14 A G T 345S+ 0 0 54 3,-4.2 -1,-0.2 -2,-0.2 4,-0.2 0.324 125.7 40.9 106.5 -5.1 -31.4 -35.4 19.4 11 15 A S T <45S+ 0 0 96 -3,-1.5 -2,-0.2 2,-0.4 3,-0.1 0.530 122.6 30.9-138.1 -45.4 -31.7 -34.8 15.7 12 16 A W T <5S- 0 0 86 -4,-2.3 36,-2.1 1,-0.3 37,-0.4 0.710 138.4 -0.9 -87.9 -26.2 -28.4 -33.2 14.5 13 17 A Y B - 0 0 49 1,-0.1 4,-2.5 2,-0.0 5,-0.2 -0.580 68.1-150.8 -70.2 118.9 -27.4 -38.7 25.3 17 21 A G H > S+ 0 0 15 -2,-0.5 4,-2.7 78,-0.3 5,-0.2 0.909 91.9 46.3 -57.9 -57.5 -24.2 -37.4 26.9 18 22 A P H > S+ 0 0 105 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.908 115.1 48.8 -54.9 -40.1 -22.3 -40.7 27.4 19 23 A Q H > S+ 0 0 118 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.909 112.9 46.3 -63.6 -47.3 -23.2 -41.9 23.8 20 24 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.897 111.1 52.8 -64.3 -42.4 -22.1 -38.5 22.3 21 25 A N H X S+ 0 0 49 -4,-2.7 4,-2.5 -5,-0.2 -2,-0.2 0.957 111.7 45.8 -54.1 -53.6 -18.9 -38.6 24.4 22 26 A A H X S+ 0 0 62 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.869 112.0 52.1 -55.2 -46.4 -18.0 -42.1 23.1 23 27 A Q H X S+ 0 0 58 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.941 113.0 42.5 -56.9 -51.4 -18.8 -41.2 19.5 24 28 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.878 112.4 55.0 -65.8 -39.5 -16.6 -38.2 19.5 25 29 A E H X S+ 0 0 98 -4,-2.5 4,-2.0 -5,-0.2 -2,-0.2 0.941 107.4 50.3 -60.0 -48.0 -13.9 -40.1 21.4 26 30 A G H < S+ 0 0 32 -4,-2.8 4,-0.5 1,-0.2 -2,-0.2 0.907 112.8 47.0 -54.0 -41.4 -13.9 -42.8 18.6 27 31 A W H >< S+ 0 0 43 -4,-2.0 3,-0.8 1,-0.2 -2,-0.2 0.908 113.0 46.8 -72.4 -39.7 -13.6 -40.1 15.9 28 32 A L H >< S+ 0 0 17 -4,-2.5 3,-1.3 1,-0.2 -1,-0.2 0.779 103.2 64.2 -68.6 -32.5 -10.7 -38.2 17.6 29 33 A S T 3< S+ 0 0 73 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.654 97.2 58.5 -65.0 -18.3 -8.9 -41.5 18.3 30 34 A Q T < S+ 0 0 138 -3,-0.8 2,-0.4 -4,-0.5 -1,-0.2 0.519 93.8 77.8 -91.6 -6.7 -8.6 -41.9 14.5 31 35 A V S < S- 0 0 5 -3,-1.3 2,-0.4 -4,-0.1 26,-0.0 -0.847 72.4-137.4-109.2 138.0 -6.7 -38.6 13.9 32 36 A Q - 0 0 157 -2,-0.4 2,-0.4 1,-0.0 28,-0.0 -0.811 27.4-117.3 -91.3 132.1 -3.0 -38.0 14.5 33 37 A S + 0 0 64 -2,-0.4 28,-0.1 1,-0.2 24,-0.0 -0.592 54.9 146.6 -71.6 123.9 -2.2 -34.6 16.2 34 38 A T + 0 0 94 -2,-0.4 -1,-0.2 0, 0.0 27,-0.1 0.536 63.7 44.3-133.9 -23.2 -0.1 -32.8 13.7 35 39 A K S S- 0 0 56 23,-0.1 26,-0.1 230,-0.0 -2,-0.1 0.113 84.1-177.7-119.8 20.1 -0.9 -29.1 14.0 36 40 A R + 0 0 78 1,-0.1 26,-0.1 26,-0.1 25,-0.1 -0.262 59.1 31.3 -65.2 151.2 -1.0 -28.5 17.8 37 41 A P S S- 0 0 40 0, 0.0 255,-0.4 0, 0.0 2,-0.3 0.722 81.7-160.4 -80.9 133.6 -1.6 -26.1 19.4 38 42 A A - 0 0 3 23,-1.6 25,-0.3 1,-0.1 253,-0.2 -0.617 14.6-166.9 -77.3 135.3 -4.1 -24.6 16.9 39 43 A R S S+ 0 0 33 251,-2.9 141,-2.1 1,-0.4 2,-0.3 0.597 79.4 3.2 -90.6 -17.7 -4.8 -20.9 17.2 40 44 A A E -dE 180 290C 0 250,-1.2 250,-3.2 139,-0.2 -1,-0.4 -0.968 64.8-164.8-161.5 154.0 -7.8 -21.4 14.9 41 45 A I E -dE 181 289C 0 139,-2.3 141,-2.4 -2,-0.3 2,-0.4 -0.949 14.7-144.1-139.1 155.7 -9.7 -24.1 13.0 42 46 A I E +dE 182 288C 0 246,-1.8 246,-2.4 -2,-0.3 141,-0.2 -0.976 34.1 165.9-114.4 131.1 -12.2 -24.3 10.3 43 47 A A E -d 183 0C 0 139,-1.6 141,-1.9 -2,-0.4 244,-0.2 -0.989 35.0-100.0-148.7 150.6 -14.7 -27.1 10.8 44 48 A P - 0 0 4 0, 0.0 141,-0.2 0, 0.0 241,-0.1 -0.090 14.1-156.3 -66.5 160.1 -18.1 -28.2 9.4 45 49 A H + 0 0 3 138,-0.1 2,-0.1 2,-0.0 86,-0.1 -0.062 53.1 118.2-127.5 28.9 -21.6 -27.6 11.1 46 50 A A S S- 0 0 10 1,-0.2 5,-0.1 138,-0.1 -34,-0.0 -0.446 80.0 -66.3 -87.5 166.8 -23.6 -30.4 9.5 47 51 A G >> - 0 0 8 -2,-0.1 4,-2.0 1,-0.1 3,-1.4 -0.258 49.0-115.7 -49.0 143.3 -25.2 -33.2 11.4 48 52 A Y H 3> S+ 0 0 6 -36,-2.1 4,-2.1 1,-0.3 5,-0.4 0.821 113.9 63.5 -55.7 -38.4 -22.7 -35.5 13.1 49 53 A T H 34 S+ 0 0 126 -37,-0.4 -1,-0.3 1,-0.2 4,-0.1 0.869 113.6 36.7 -50.9 -37.1 -23.7 -38.5 11.0 50 54 A Y H <4 S+ 0 0 157 -3,-1.4 -2,-0.2 1,-0.1 -1,-0.2 0.946 137.1 8.7 -83.0 -56.8 -22.5 -36.5 7.9 51 55 A C H >X S+ 0 0 2 -4,-2.0 4,-2.1 1,-0.1 3,-0.6 0.401 90.7 110.7-113.2 1.6 -19.4 -34.6 8.9 52 56 A G H 3X S+ 0 0 1 -4,-2.1 4,-0.9 -5,-0.4 -3,-0.1 0.868 83.8 43.1 -50.7 -50.8 -18.6 -35.9 12.4 53 57 A S H 34 S+ 0 0 60 -5,-0.4 4,-0.5 1,-0.2 -1,-0.3 0.813 112.5 56.4 -66.5 -27.8 -15.4 -37.8 11.5 54 58 A C H X4 S+ 0 0 2 -3,-0.6 3,-1.8 1,-0.2 4,-0.5 0.961 102.9 52.3 -66.4 -50.5 -14.3 -34.8 9.3 55 59 A A H >X S+ 0 0 3 -4,-2.1 4,-2.4 1,-0.3 3,-0.8 0.704 96.5 69.9 -61.3 -23.7 -14.5 -32.2 12.2 56 60 A A H 3X S+ 0 0 0 -4,-0.9 4,-2.5 1,-0.2 -1,-0.3 0.751 87.4 64.2 -65.2 -29.5 -12.3 -34.4 14.3 57 61 A H H <4 S+ 0 0 50 -3,-1.8 -1,-0.2 -4,-0.5 -2,-0.2 0.802 110.6 38.9 -65.6 -27.9 -9.3 -33.7 12.1 58 62 A A H X4 S+ 0 0 0 -3,-0.8 3,-1.6 -4,-0.5 4,-0.2 0.900 116.3 48.6 -80.5 -53.1 -9.7 -30.0 13.2 59 63 A Y H >< S+ 0 0 2 -4,-2.4 3,-1.9 1,-0.3 -2,-0.2 0.849 100.6 65.0 -61.1 -32.9 -10.6 -30.6 16.9 60 64 A K T 3< S+ 0 0 45 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.1 0.739 96.3 60.1 -55.7 -22.7 -7.6 -33.1 17.4 61 65 A Q T < S+ 0 0 1 -3,-1.6 -23,-1.6 -5,-0.1 2,-0.3 0.520 81.4 102.6 -88.9 -5.5 -5.3 -30.1 16.7 62 66 A V < - 0 0 3 -3,-1.9 -26,-0.1 -4,-0.2 -23,-0.1 -0.627 65.3-146.1 -80.1 132.7 -6.7 -28.1 19.7 63 67 A D >> - 0 0 7 -25,-0.3 4,-2.6 -2,-0.3 3,-1.8 -0.873 11.5-170.7-102.6 102.4 -4.3 -28.2 22.8 64 68 A P T 34 S+ 0 0 15 0, 0.0 -1,-0.1 0, 0.0 76,-0.0 0.669 83.7 67.5 -63.6 -20.4 -6.5 -28.2 26.0 65 69 A S T 34 S+ 0 0 20 1,-0.1 75,-0.0 -3,-0.1 -2,-0.0 0.669 117.2 21.8 -74.2 -15.7 -3.3 -27.7 28.0 66 70 A I T <4 S+ 0 0 16 -3,-1.8 2,-0.2 1108,-0.0 -1,-0.1 0.712 101.0 91.4-116.0 -36.6 -2.9 -24.2 26.5 67 71 A T < + 0 0 2 -4,-2.6 111,-0.2 1,-0.1 110,-0.1 -0.431 34.1 157.4 -77.6 129.8 -6.3 -23.0 25.2 68 72 A R + 0 0 20 109,-4.0 80,-2.0 1,-0.3 2,-0.4 0.595 63.4 41.2-121.7 -21.8 -8.5 -21.1 27.7 69 73 A R E -fg 148 178C 61 108,-1.8 110,-2.2 78,-0.2 2,-0.6 -0.986 62.8-163.6-140.3 121.9 -10.9 -19.1 25.6 70 74 A I E -fg 149 179C 2 78,-2.4 80,-3.1 -2,-0.4 2,-0.4 -0.936 1.8-163.2-117.2 108.8 -12.8 -20.4 22.5 71 75 A F E -fg 150 180C 0 108,-2.9 110,-3.5 -2,-0.6 2,-0.5 -0.751 7.1-163.3 -80.2 135.6 -14.4 -17.9 20.1 72 76 A I E -fg 151 181C 0 78,-2.0 80,-3.2 -2,-0.4 2,-0.6 -0.958 4.7-171.6-124.7 107.8 -16.9 -19.7 17.8 73 77 A L E +fg 152 182C 2 108,-2.7 110,-2.9 -2,-0.5 80,-0.2 -0.903 13.3 170.6 -98.8 118.7 -17.9 -17.6 14.8 74 78 A G E -f 153 0C 0 78,-2.2 80,-2.7 -2,-0.6 55,-0.1 -0.983 32.3-112.7-133.4 148.0 -20.7 -19.1 12.8 75 79 A P E -f 154 0C 9 0, 0.0 2,-0.5 0, 0.0 53,-0.3 -0.320 33.4-113.2 -74.4 152.7 -22.8 -17.8 9.9 76 80 A S - 0 0 30 78,-1.5 5,-0.1 1,-0.1 77,-0.0 -0.790 27.9-178.9 -90.8 133.9 -26.5 -17.1 10.3 77 81 A H S S+ 0 0 81 -2,-0.5 -1,-0.1 3,-0.1 78,-0.0 0.600 77.2 27.4 -96.2 -20.8 -29.0 -19.3 8.5 78 82 A H S S+ 0 0 96 1,-0.1 -2,-0.1 44,-0.1 44,-0.0 0.777 103.2 61.2-121.9 -40.7 -32.3 -17.6 9.5 79 83 A V S S- 0 0 42 43,-0.1 2,-0.7 1,-0.0 -1,-0.1 -0.729 78.3-115.2 -98.3 146.4 -32.2 -14.0 10.4 80 84 A P + 0 0 132 0, 0.0 2,-0.4 0, 0.0 75,-0.1 -0.709 48.1 170.1 -73.8 112.6 -31.2 -11.1 8.2 81 85 A L - 0 0 11 -2,-0.7 75,-2.7 -5,-0.1 -5,-0.1 -0.999 24.6-179.3-129.1 131.9 -28.0 -9.9 10.0 82 86 A S S S+ 0 0 81 -2,-0.4 76,-0.4 73,-0.2 2,-0.1 0.459 76.1 23.6-110.4 -6.3 -25.7 -7.3 8.4 83 87 A R S S- 0 0 86 74,-0.1 72,-2.4 70,-0.0 2,-0.3 -0.315 99.7 -72.0-125.4-145.9 -23.2 -7.3 11.3 84 88 A C E -hI 115 154C 0 30,-0.8 32,-2.1 70,-0.2 2,-0.4 -0.834 41.4-148.1-115.8 158.5 -22.3 -9.7 14.1 85 89 A A E -hI 116 153C 3 68,-2.9 68,-3.0 -2,-0.3 2,-0.3 -0.976 2.8-149.6-132.6 148.7 -24.3 -10.7 17.1 86 90 A L E -hI 117 152C 0 30,-2.5 32,-2.3 -2,-0.4 66,-0.1 -0.860 29.7-101.3-112.5 146.5 -23.7 -11.7 20.7 87 91 A S - 0 0 1 64,-0.5 32,-0.1 -2,-0.3 33,-0.1 -0.218 11.4-146.2 -58.2 147.1 -25.8 -14.0 23.0 88 92 A S S S+ 0 0 59 30,-0.4 2,-0.1 31,-0.1 -1,-0.1 0.493 77.6 76.7 -89.4 -8.3 -28.1 -12.6 25.7 89 93 A V - 0 0 4 1,-0.1 -86,-0.2 31,-0.0 -87,-0.1 -0.416 68.8-142.3-102.2 179.2 -27.3 -15.6 28.0 90 94 A D S S+ 0 0 72 -88,-1.8 11,-2.8 1,-0.2 2,-0.4 0.633 81.2 44.1-108.9 -25.4 -24.5 -16.7 30.2 91 95 A I E -aB 3 100A 51 -89,-2.0 -87,-2.4 9,-0.2 2,-0.6 -0.990 58.8-154.3-134.5 134.7 -24.4 -20.5 29.6 92 96 A Y E -aB 4 99A 1 7,-2.6 7,-3.1 -2,-0.4 2,-0.2 -0.946 25.4-139.7-107.1 115.4 -24.6 -22.8 26.5 93 97 A R + 0 0 105 -89,-2.4 5,-0.1 -2,-0.6 40,-0.1 -0.472 24.5 173.7 -75.7 145.6 -25.9 -26.2 27.4 94 98 A T - 0 0 10 -2,-0.2 -77,-0.1 39,-0.1 -88,-0.1 -0.954 43.9-113.8-141.1 157.1 -24.5 -29.4 25.8 95 99 A P S S+ 0 0 32 0, 0.0 -78,-0.3 0, 0.0 3,-0.1 0.766 115.8 49.0 -60.2 -25.2 -25.2 -33.1 26.5 96 100 A L S S- 0 0 35 1,-0.3 2,-0.3 -79,-0.1 -79,-0.1 0.984 131.7 -42.7 -77.0 -67.1 -21.6 -33.5 27.8 97 101 A Y - 0 0 30 -80,-0.0 -1,-0.3 47,-0.0 2,-0.2 -0.939 67.7 -91.5-159.7 157.3 -21.3 -30.5 30.2 98 102 A D - 0 0 68 -2,-0.3 2,-0.3 -5,-0.1 -5,-0.2 -0.478 35.0-136.5 -80.0 143.6 -22.4 -26.9 30.0 99 103 A L E -B 92 0A 4 -7,-3.1 -7,-2.6 -2,-0.2 2,-0.4 -0.773 10.7-136.4-104.2 145.1 -20.2 -24.1 28.7 100 104 A R E -B 91 0A 121 47,-0.5 49,-2.7 -2,-0.3 2,-0.3 -0.825 14.5-126.6-106.1 131.7 -19.7 -20.6 30.2 101 105 A I B -j 149 0C 7 -11,-2.8 2,-0.9 -2,-0.4 49,-0.2 -0.567 28.7-116.2 -72.1 132.8 -19.6 -17.4 28.2 102 106 A D > - 0 0 22 47,-2.1 4,-2.2 -2,-0.3 5,-0.2 -0.633 28.2-166.8 -71.0 104.6 -16.5 -15.3 28.9 103 107 A Q H > S+ 0 0 105 -2,-0.9 4,-2.3 2,-0.2 5,-0.2 0.854 81.2 58.3 -64.7 -34.4 -18.1 -12.2 30.5 104 108 A K H > S+ 0 0 153 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.968 112.3 37.5 -59.7 -55.8 -14.9 -10.1 30.2 105 109 A I H > S+ 0 0 8 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.879 114.4 55.6 -65.1 -38.3 -14.5 -10.5 26.5 106 110 A Y H X S+ 0 0 10 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.853 108.5 49.6 -62.7 -35.1 -18.3 -10.2 25.9 107 111 A G H X S+ 0 0 21 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.934 112.0 47.2 -69.1 -45.9 -18.3 -6.9 27.8 108 112 A E H X S+ 0 0 64 -4,-2.3 4,-0.8 1,-0.2 -2,-0.2 0.920 114.1 47.4 -55.9 -49.0 -15.4 -5.6 25.7 109 113 A L H >< S+ 0 0 0 -4,-2.9 3,-1.0 1,-0.2 5,-0.4 0.914 110.2 51.3 -62.1 -48.7 -17.0 -6.7 22.5 110 114 A W H >< S+ 0 0 104 -4,-2.1 3,-1.6 1,-0.2 5,-0.3 0.893 105.1 57.4 -53.6 -44.2 -20.4 -5.2 23.3 111 115 A K H 3< S+ 0 0 171 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.669 87.9 75.9 -66.9 -21.0 -18.8 -1.8 24.2 112 116 A T T << S- 0 0 56 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.668 98.9-131.8 -62.2 -20.7 -17.3 -1.5 20.7 113 117 A G S < S+ 0 0 55 -3,-1.6 -2,-0.1 -4,-0.3 -1,-0.1 0.283 80.2 106.8 85.9 -9.6 -20.7 -0.6 19.4 114 118 A X + 0 0 34 -5,-0.4 -30,-0.8 -31,-0.0 2,-0.3 0.583 62.1 70.4 -82.4 -10.5 -20.3 -3.2 16.5 115 119 A F E -h 84 0C 6 -5,-0.3 -30,-0.2 -6,-0.3 2,-0.2 -0.810 59.9-149.1-114.7 145.8 -22.6 -6.0 17.7 116 120 A E E -h 85 0C 68 -32,-2.1 -30,-2.5 -2,-0.3 2,-0.5 -0.558 30.7-112.5 -89.6 171.1 -26.3 -6.5 18.0 117 121 A R E -h 86 0C 109 -32,-0.2 2,-0.2 -2,-0.2 -30,-0.2 -0.941 24.1-134.6-108.1 120.9 -27.7 -8.8 20.7 118 122 A X - 0 0 7 -32,-2.3 -30,-0.4 -2,-0.5 2,-0.0 -0.545 20.6-125.2 -68.2 135.1 -29.4 -12.1 19.5 119 123 A S > - 0 0 57 -2,-0.2 4,-2.5 1,-0.1 5,-0.1 -0.341 29.9-106.2 -63.5 164.2 -32.7 -12.8 21.2 120 124 A L H > S+ 0 0 42 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.842 122.8 56.5 -60.0 -36.0 -32.8 -16.2 22.9 121 125 A Q H > S+ 0 0 139 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.931 109.4 42.1 -57.8 -53.6 -35.1 -17.3 20.0 122 126 A T H > S+ 0 0 21 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.958 115.8 53.0 -56.4 -49.4 -32.5 -16.4 17.3 123 127 A D H < S+ 0 0 4 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.929 114.7 38.3 -50.9 -58.5 -29.8 -17.9 19.6 124 128 A E H < S+ 0 0 49 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.776 111.7 59.0 -67.1 -28.4 -31.6 -21.3 20.0 125 129 A D H < S+ 0 0 75 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.900 91.9 81.8 -70.5 -39.9 -32.9 -21.4 16.3 126 130 A E < - 0 0 7 -4,-2.2 4,-0.2 -5,-0.2 -119,-0.1 -0.312 50.9-179.5 -67.7 142.3 -29.3 -21.2 14.9 127 131 A H > + 0 0 15 2,-0.1 4,-2.2 3,-0.1 5,-0.2 0.501 61.2 89.6-115.5 -10.4 -27.2 -24.4 14.6 128 132 A S T 4 S+ 0 0 0 -53,-0.3 -52,-0.1 1,-0.2 -1,-0.1 0.734 101.0 32.0 -67.9 -21.6 -24.0 -23.1 13.1 129 133 A I T >4 S+ 0 0 6 -55,-0.1 3,-1.9 2,-0.1 4,-0.2 0.823 114.7 59.4 -93.5 -44.8 -22.4 -22.3 16.6 130 134 A E G >4 S+ 0 0 0 1,-0.3 3,-2.1 -4,-0.2 -2,-0.2 0.803 92.1 67.7 -51.3 -40.9 -24.2 -25.2 18.5 131 135 A X G 3< S+ 0 0 2 -4,-2.2 4,-0.4 1,-0.3 -1,-0.3 0.697 102.0 49.0 -59.4 -18.1 -22.6 -27.9 16.2 132 136 A H G <> S+ 0 0 1 -3,-1.9 4,-1.8 -5,-0.2 -1,-0.3 0.471 90.6 81.3 -98.6 -2.2 -19.2 -27.0 17.7 133 137 A L H <> S+ 0 0 0 -3,-2.1 4,-2.8 -4,-0.2 -2,-0.2 0.921 93.3 42.9 -76.1 -48.3 -20.3 -27.1 21.3 134 138 A P H > S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.891 116.1 49.4 -60.3 -41.5 -20.1 -30.8 21.9 135 139 A Y H > S+ 0 0 1 -4,-0.4 4,-2.8 2,-0.2 -2,-0.2 0.892 113.8 46.2 -61.8 -42.6 -16.8 -31.1 20.0 136 140 A T H X S+ 0 0 1 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.928 111.6 51.1 -63.3 -51.5 -15.3 -28.2 22.0 137 141 A A H < S+ 0 0 0 -4,-2.8 -2,-0.2 1,-0.2 4,-0.2 0.929 114.7 44.8 -49.6 -48.2 -16.6 -29.8 25.2 138 142 A K H >< S+ 0 0 7 -4,-2.7 3,-1.6 1,-0.2 4,-0.3 0.936 112.2 49.9 -64.2 -49.6 -15.0 -33.1 24.3 139 143 A A H 3< S+ 0 0 20 -4,-2.8 3,-0.3 1,-0.3 -1,-0.2 0.838 115.8 43.3 -59.4 -36.9 -11.7 -31.6 23.1 140 144 A X T >< S+ 0 0 0 -4,-2.3 3,-2.3 1,-0.2 -1,-0.3 0.298 78.8 119.2 -93.3 9.7 -11.4 -29.6 26.4 141 145 A E G X S+ 0 0 79 -3,-1.6 3,-1.6 1,-0.3 -1,-0.2 0.843 71.8 53.1 -39.1 -54.9 -12.5 -32.5 28.6 142 146 A S G 3 S+ 0 0 84 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.554 121.5 31.4 -66.3 -12.6 -9.2 -32.6 30.6 143 147 A H G X S+ 0 0 44 -3,-2.3 3,-1.8 1,-0.1 -1,-0.3 -0.197 79.2 143.0-133.3 41.0 -9.4 -28.9 31.5 144 148 A K T < + 0 0 95 -3,-1.6 3,-0.4 1,-0.3 -2,-0.1 0.687 69.8 47.3 -65.2 -19.7 -13.2 -28.7 31.5 145 149 A D T 3 S+ 0 0 126 1,-0.2 -1,-0.3 -4,-0.1 -4,-0.1 0.471 103.4 64.2 -98.6 -0.6 -13.4 -26.2 34.5 146 150 A E S < S+ 0 0 70 -3,-1.8 2,-0.3 -6,-0.2 -1,-0.2 0.233 88.2 71.4-112.7 12.5 -10.8 -23.8 33.2 147 151 A F - 0 0 6 -3,-0.4 -47,-0.5 -4,-0.2 2,-0.3 -0.937 49.8-160.4-137.5 158.7 -12.2 -22.4 29.9 148 152 A T E -f 69 0C 13 -80,-2.0 -78,-2.4 -2,-0.3 2,-0.3 -0.821 15.5-134.3-126.7 159.9 -14.9 -20.1 28.5 149 153 A I E -fj 70 101C 0 -49,-2.7 -47,-2.1 -2,-0.3 -78,-0.3 -0.873 2.6-155.7-112.9 158.4 -16.5 -19.6 25.1 150 154 A I E -f 71 0C 0 -80,-3.1 -78,-2.0 -2,-0.3 2,-0.3 -0.814 17.5-163.1-128.1 87.3 -17.2 -16.5 23.0 151 155 A P E -f 72 0C 0 0, 0.0 -64,-0.5 0, 0.0 2,-0.4 -0.572 8.4-175.2 -75.3 132.9 -20.1 -17.3 20.6 152 156 A V E -fI 73 86C 0 -80,-3.2 -78,-2.2 -2,-0.3 2,-0.7 -0.983 18.4-148.5-130.5 122.2 -20.4 -14.9 17.7 153 157 A L E -fI 74 85C 1 -68,-3.0 -68,-2.9 -2,-0.4 2,-0.6 -0.810 18.9-156.9 -85.1 120.4 -23.2 -14.9 15.2 154 158 A V E -fI 75 84C 1 -80,-2.7 -78,-1.5 -2,-0.7 -70,-0.2 -0.889 11.0-167.9-104.2 120.9 -21.8 -13.6 11.9 155 159 A G - 0 0 2 -72,-2.4 2,-2.0 -2,-0.6 -73,-0.2 0.027 47.7 -53.4 -91.2-163.4 -24.2 -12.2 9.4 156 160 A A - 0 0 67 -75,-2.7 2,-0.1 87,-0.1 -1,-0.1 -0.494 70.0-166.3 -77.1 77.5 -24.0 -11.2 5.8 157 161 A L - 0 0 5 -2,-2.0 -74,-0.1 -74,-0.1 -75,-0.1 -0.382 17.3-128.4 -75.8 139.7 -21.0 -8.9 6.1 158 162 A S > - 0 0 61 -76,-0.4 4,-2.2 -2,-0.1 5,-0.1 -0.267 35.6-104.0 -64.3 161.2 -19.8 -6.4 3.5 159 163 A E H > S+ 0 0 92 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.888 125.3 55.9 -53.7 -38.6 -16.1 -6.6 2.6 160 164 A S H > S+ 0 0 63 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.872 108.2 45.9 -62.9 -43.8 -15.6 -3.5 4.8 161 165 A K H > S+ 0 0 51 2,-0.2 4,-3.3 1,-0.2 5,-0.3 0.830 109.2 55.0 -68.9 -36.3 -17.2 -5.2 7.8 162 166 A E H X S+ 0 0 24 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.907 112.9 43.3 -60.4 -42.8 -15.1 -8.4 7.2 163 167 A Q H X S+ 0 0 98 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.900 115.8 49.2 -66.3 -44.7 -12.0 -6.2 7.3 164 168 A E H X S+ 0 0 94 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.889 115.6 40.7 -66.7 -42.4 -13.3 -4.2 10.3 165 169 A F H X S+ 0 0 0 -4,-3.3 4,-2.4 2,-0.2 5,-0.2 0.820 111.5 58.9 -74.4 -33.0 -14.2 -7.3 12.3 166 170 A G H X S+ 0 0 0 -4,-2.0 4,-1.4 -5,-0.3 -2,-0.2 0.964 109.4 43.8 -52.6 -54.2 -11.0 -9.0 11.2 167 171 A K H X S+ 0 0 133 -4,-2.5 4,-0.6 1,-0.2 -2,-0.2 0.871 113.7 50.5 -59.4 -42.9 -9.0 -6.1 12.8 168 172 A L H < S+ 0 0 35 -4,-1.8 3,-0.4 1,-0.2 4,-0.3 0.898 114.6 42.6 -58.9 -45.7 -11.2 -6.0 16.0 169 173 A F H >X S+ 0 0 1 -4,-2.4 4,-2.0 1,-0.2 3,-1.4 0.720 95.0 87.7 -77.3 -20.0 -10.8 -9.8 16.5 170 174 A S H 3X S+ 0 0 7 -4,-1.4 4,-1.6 1,-0.3 -1,-0.2 0.839 82.8 52.6 -41.1 -55.9 -7.0 -9.5 15.6 171 175 A K H 3< S+ 0 0 133 -4,-0.6 -1,-0.3 -3,-0.4 4,-0.2 0.785 111.3 48.1 -60.9 -26.5 -5.9 -8.7 19.1 172 176 A Y H X4 S+ 0 0 17 -3,-1.4 3,-1.1 -4,-0.3 6,-0.2 0.860 108.0 53.3 -82.3 -38.6 -7.7 -11.8 20.4 173 177 A L H 3< S+ 0 0 1 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.772 102.1 61.6 -60.9 -29.7 -6.2 -14.1 17.7 174 178 A A T 3< S+ 0 0 35 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.664 84.8 94.9 -71.2 -17.1 -2.7 -12.8 18.8 175 179 A D X - 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