==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HEME BINDING PROTEIN 07-SEP-11 3TPA . COMPND 2 MOLECULE: HEME-BINDING PROTEIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: HAEMOPHILUS PARASUIS 29755; . AUTHOR B.VERGAUWEN,R.VAN DER MEEREN,A.DANSERCOER,S.N.SAVVIDES . 507 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21057.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 343 67.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 3.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 69 13.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 45 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 66 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 113 22.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 4 1 0 1 1 5 1 1 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 0 0 0 2 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 1 3 1 3 1 2 0 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 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 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 N 0 0 92 0, 0.0 212,-1.7 0, 0.0 211,-0.6 0.000 360.0 360.0 360.0 110.3 31.9 1.1 -18.6 2 9 A T E -a 213 0A 40 210,-0.2 2,-0.4 209,-0.1 212,-0.2 -0.933 360.0-152.2-129.6 109.0 32.2 -2.1 -20.5 3 10 A L E -a 214 0A 0 210,-1.9 212,-2.9 -2,-0.5 2,-0.6 -0.649 9.2-151.2 -80.0 129.4 30.4 -5.2 -19.3 4 11 A V E -a 215 0A 33 -2,-0.4 231,-2.7 210,-0.2 232,-1.5 -0.903 9.3-168.7-105.0 114.7 32.2 -8.5 -20.3 5 12 A N E -ab 216 236A 5 210,-3.5 212,-2.2 -2,-0.6 2,-0.7 -0.896 8.3-156.2-105.2 112.0 29.8 -11.5 -20.6 6 13 A a E -ab 217 237A 1 230,-2.8 232,-1.2 -2,-0.7 2,-0.3 -0.804 16.5-175.1 -99.0 112.9 31.6 -14.7 -20.9 7 14 A I E -a 218 0A 15 210,-1.6 212,-3.5 -2,-0.7 3,-0.0 -0.781 29.8-133.8-114.9 151.6 29.6 -17.4 -22.7 8 15 A A S S+ 0 0 14 -2,-0.3 2,-0.3 210,-0.2 -1,-0.1 0.845 85.1 23.2 -72.4 -38.0 30.2 -21.1 -23.4 9 16 A T S S- 0 0 85 210,-0.1 -1,-0.1 209,-0.0 210,-0.1 -0.943 82.8-102.1-134.5 155.0 29.2 -21.2 -27.0 10 17 A A - 0 0 51 -2,-0.3 2,-0.3 1,-0.1 14,-0.1 -0.496 47.3-107.0 -72.0 135.5 28.9 -18.9 -30.0 11 18 A P - 0 0 28 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.520 26.1-157.1 -68.3 127.2 25.2 -17.9 -30.7 12 19 A M S S+ 0 0 154 -2,-0.3 2,-0.4 1,-0.2 -2,-0.0 0.913 74.4 29.7 -69.0 -45.5 24.0 -19.6 -33.8 13 20 A K - 0 0 81 8,-0.1 -1,-0.2 1,-0.1 14,-0.2 -0.962 51.1-168.0-124.6 131.1 21.2 -17.2 -34.7 14 21 A L S S+ 0 0 28 -2,-0.4 -1,-0.1 162,-0.4 5,-0.0 -0.066 72.0 86.2-100.6 32.6 20.9 -13.5 -34.1 15 22 A S > - 0 0 0 1,-0.1 3,-1.3 164,-0.1 161,-0.1 -0.905 61.8-160.0-135.9 103.7 17.2 -13.5 -35.1 16 23 A P G > S+ 0 0 0 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.785 86.4 65.0 -56.3 -34.2 14.7 -14.3 -32.3 17 24 A A G 3 S+ 0 0 2 1,-0.2 97,-0.3 136,-0.1 98,-0.3 0.824 112.5 34.0 -59.1 -31.1 11.8 -15.3 -34.6 18 25 A I G < S+ 0 0 5 -3,-1.3 2,-0.3 94,-0.1 93,-0.3 0.072 89.4 124.3-115.7 25.3 13.8 -18.3 -36.0 19 26 A T < + 0 0 0 -3,-1.3 95,-0.3 1,-0.2 3,-0.1 -0.698 29.4 175.4 -96.3 139.4 15.7 -19.4 -32.9 20 27 A N S S+ 0 0 79 -2,-0.3 2,-0.8 1,-0.2 -1,-0.2 0.762 70.3 68.1-102.9 -44.0 15.6 -22.9 -31.5 21 28 A D S > S- 0 0 71 1,-0.2 3,-2.6 2,-0.0 4,-0.4 -0.738 72.4-150.8 -86.9 106.5 18.2 -22.6 -28.8 22 29 A A G > S+ 0 0 28 -2,-0.8 3,-1.2 1,-0.3 4,-0.5 0.751 91.8 72.1 -52.9 -24.1 16.9 -20.2 -26.1 23 30 A N G > S+ 0 0 63 1,-0.2 3,-0.8 2,-0.2 4,-0.4 0.791 85.6 64.8 -63.0 -26.6 20.5 -19.3 -25.3 24 31 A D G X> S+ 0 0 5 -3,-2.6 3,-1.0 1,-0.2 4,-0.6 0.722 87.3 72.5 -63.6 -27.0 20.7 -17.3 -28.7 25 32 A F G X4>S+ 0 0 2 -3,-1.2 5,-2.4 -4,-0.4 3,-1.0 0.850 85.7 63.5 -58.6 -35.4 18.0 -14.9 -27.3 26 33 A N G <45S+ 0 0 19 -3,-0.8 -1,-0.2 -4,-0.5 -2,-0.2 0.803 105.3 46.2 -61.5 -29.8 20.5 -13.4 -24.9 27 34 A A G <45S+ 0 0 2 -3,-1.0 -1,-0.3 -4,-0.4 -2,-0.2 0.556 131.0 12.3 -88.1 -12.7 22.5 -12.2 -27.9 28 35 A S T XX>S+ 0 0 0 -3,-1.0 4,-3.2 -4,-0.6 3,-1.4 0.497 126.5 31.0-125.8 -85.5 19.5 -10.7 -29.8 29 36 A S H 3>5S+ 0 0 0 1,-0.3 4,-0.5 3,-0.2 -3,-0.2 0.813 116.7 57.8 -51.9 -35.3 16.0 -10.2 -28.4 30 37 A Q H 34 - 0 0 67 5,-3.1 3,-2.3 -2,-0.2 5,-0.1 -0.384 54.6 -78.3 -57.3 145.8 8.6 -7.1 -15.2 41 48 A A T 3 S- 0 0 71 1,-0.3 -1,-0.1 452,-0.1 451,-0.1 -0.238 114.7 -0.9 -53.7 127.9 12.1 -7.7 -14.0 42 49 A G T 3 S+ 0 0 18 449,-0.3 -1,-0.3 1,-0.2 2,-0.2 0.513 119.3 97.1 73.4 5.7 12.4 -11.0 -12.1 43 50 A K S < S- 0 0 105 -3,-2.3 -1,-0.2 2,-0.2 270,-0.0 -0.755 71.3-138.4-127.6 166.3 8.7 -11.7 -12.6 44 51 A I S S+ 0 0 28 -2,-0.2 2,-0.2 269,-0.2 -1,-0.1 0.546 78.4 95.7-100.3 -10.5 6.3 -13.6 -14.9 45 52 A E S S- 0 0 102 -5,-0.1 -5,-3.1 -4,-0.1 2,-0.2 -0.513 71.6-128.7 -79.2 150.6 3.8 -10.7 -15.0 46 53 A V E -G 39 0B 26 -7,-0.3 -7,-0.2 -2,-0.2 -2,-0.1 -0.548 20.8-173.0-100.3 161.5 3.9 -8.3 -17.9 47 54 A E E -G 38 0B 53 -9,-2.4 -9,-2.3 -2,-0.2 6,-0.1 -0.895 46.1 -60.0-141.1 169.7 4.1 -4.4 -18.2 48 55 A P E +G 37 0B 48 0, 0.0 -11,-0.2 0, 0.0 4,-0.2 -0.227 57.1 158.2 -56.0 138.1 3.9 -2.0 -21.2 49 56 A G S S- 0 0 0 -13,-1.7 -13,-0.2 2,-0.9 -12,-0.2 0.183 75.6 -18.1-121.5-113.8 6.5 -2.4 -23.9 50 57 A L S S+ 0 0 0 -15,-2.3 18,-2.7 17,-0.1 2,-0.6 0.729 131.9 71.1 -72.9 -21.1 6.1 -1.1 -27.4 51 58 A A E S-H 67 0C 0 -15,-2.8 -2,-0.9 -16,-0.3 16,-0.3 -0.880 73.5-160.7 -87.5 120.9 2.4 -1.1 -26.6 52 59 A E E S- 0 0 92 14,-2.1 2,-0.3 -2,-0.6 15,-0.2 0.827 75.8 -10.0 -72.4 -29.8 2.0 1.8 -24.2 53 60 A R E -H 66 0C 118 13,-1.3 13,-2.6 -3,-0.1 2,-0.3 -0.976 65.4-157.8-157.8 167.5 -1.3 0.2 -23.2 54 61 A W E -H 65 0C 65 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.988 4.6-151.3-149.9 156.7 -3.7 -2.6 -24.2 55 62 A E E -H 64 0C 86 9,-2.0 9,-2.7 -2,-0.3 2,-0.5 -0.966 5.6-154.6-128.5 144.8 -7.3 -3.7 -23.8 56 63 A I E -H 63 0C 46 -2,-0.3 7,-0.2 7,-0.2 -2,-0.0 -0.986 25.2-120.9-121.4 127.6 -8.9 -7.1 -23.8 57 64 A S > - 0 0 31 5,-2.2 3,-1.7 -2,-0.5 5,-0.0 -0.119 31.0-101.0 -61.7 162.8 -12.5 -7.6 -24.8 58 65 A E T 3 S+ 0 0 192 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.905 122.0 48.3 -50.9 -50.7 -15.1 -9.1 -22.5 59 66 A D T 3 S- 0 0 90 1,-0.1 -1,-0.3 389,-0.0 -2,-0.1 0.471 109.4-120.6 -73.8 -2.9 -15.0 -12.5 -24.1 60 67 A G S < S+ 0 0 5 -3,-1.7 83,-0.7 2,-0.2 -2,-0.1 0.605 85.3 108.4 75.5 11.4 -11.1 -12.7 -24.1 61 68 A L + 0 0 50 1,-0.1 78,-3.1 81,-0.1 2,-0.5 0.741 65.5 56.6 -91.3 -25.9 -11.0 -13.0 -27.9 62 69 A V E - I 0 138C 38 76,-0.2 -5,-2.2 2,-0.0 2,-0.5 -0.938 56.9-169.9-122.6 122.6 -9.7 -9.6 -29.0 63 70 A Y E -HI 56 137C 0 74,-3.7 74,-3.5 -2,-0.5 2,-0.6 -0.939 7.1-166.6-108.6 122.7 -6.5 -7.9 -27.9 64 71 A T E -HI 55 136C 23 -9,-2.7 -9,-2.0 -2,-0.5 2,-0.5 -0.947 2.5-165.4-115.6 118.5 -6.0 -4.3 -28.9 65 72 A F E -HI 54 135C 0 70,-2.8 70,-2.6 -2,-0.6 2,-0.6 -0.898 7.6-155.7-107.1 125.8 -2.5 -2.8 -28.5 66 73 A Y E -HI 53 134C 49 -13,-2.6 -14,-2.1 -2,-0.5 -13,-1.3 -0.904 25.8-130.7-101.0 114.3 -2.0 0.9 -28.6 67 74 A L E -H 51 0C 1 66,-2.9 -16,-0.3 -2,-0.6 -17,-0.1 -0.410 13.1-113.6 -78.1 134.7 1.6 1.6 -29.7 68 75 A R - 0 0 57 -18,-2.7 3,-0.4 -2,-0.2 2,-0.2 -0.302 40.0-124.0 -51.1 138.3 4.0 4.0 -28.0 69 76 A Q S S+ 0 0 109 1,-0.2 -1,-0.1 15,-0.0 17,-0.1 -0.580 78.9 21.4 -94.8 156.4 4.8 7.0 -30.2 70 77 A N S S+ 0 0 121 1,-0.2 2,-0.5 15,-0.2 -1,-0.2 0.778 74.2 154.5 65.4 33.4 8.2 8.2 -31.4 71 78 A V - 0 0 3 -3,-0.4 14,-2.9 14,-0.3 2,-0.3 -0.820 30.0-150.0 -92.1 124.4 10.1 5.0 -30.9 72 79 A K - 0 0 114 -2,-0.5 2,-0.2 131,-0.3 133,-0.1 -0.763 6.9-134.8-101.7 141.8 13.1 4.8 -33.3 73 80 A F - 0 0 7 10,-0.4 109,-0.2 -2,-0.3 85,-0.0 -0.555 36.1-103.1 -78.6 153.9 14.7 1.8 -34.8 74 81 A H - 0 0 7 107,-2.1 2,-0.3 -2,-0.2 -1,-0.1 -0.237 34.6-140.3 -66.7 167.0 18.5 1.6 -34.7 75 82 A S - 0 0 62 5,-0.1 2,-0.2 6,-0.0 5,-0.2 -0.906 17.7-177.3-125.3 158.3 20.5 2.4 -37.8 76 83 A N - 0 0 36 3,-2.3 3,-0.4 -2,-0.3 112,-0.0 -0.763 51.6 -81.1-136.5-170.4 23.6 0.9 -39.3 77 84 A K S S+ 0 0 167 -2,-0.2 3,-0.1 1,-0.2 -2,-0.0 0.687 131.2 44.2 -71.1 -14.1 25.7 1.8 -42.4 78 85 A T S S+ 0 0 59 1,-0.2 2,-0.4 0, 0.0 -1,-0.2 0.646 118.8 37.0 -97.3 -22.0 23.2 -0.1 -44.6 79 86 A F + 0 0 4 -3,-0.4 -3,-2.3 2,-0.0 -1,-0.2 -0.990 46.5 174.8-144.2 132.2 20.0 1.3 -43.1 80 87 A S - 0 0 83 -2,-0.4 -5,-0.1 -5,-0.2 -6,-0.1 -0.961 31.5-131.1-132.6 120.1 18.6 4.5 -41.6 81 88 A P - 0 0 31 0, 0.0 -2,-0.0 0, 0.0 -6,-0.0 -0.320 13.6-166.2 -71.0 151.8 14.9 4.6 -40.7 82 89 A T S S+ 0 0 121 1,-0.1 -10,-0.0 2,-0.1 0, 0.0 0.478 72.9 36.0-111.9 -8.9 12.7 7.5 -41.8 83 90 A R S S- 0 0 63 -12,-0.0 -10,-0.4 3,-0.0 -1,-0.1 -0.973 83.5-106.5-139.1 157.8 9.8 6.8 -39.5 84 91 A P - 0 0 29 0, 0.0 -12,-0.2 0, 0.0 -2,-0.1 -0.247 57.9 -66.7 -72.6 167.5 9.2 5.6 -36.0 85 92 A L + 0 0 0 -14,-2.9 -14,-0.3 3,-0.1 2,-0.3 -0.189 65.3 165.2 -46.2 139.4 7.9 2.2 -35.1 86 93 A N >> - 0 0 5 -3,-0.1 4,-1.2 -17,-0.1 3,-0.9 -0.880 52.6 -77.6-147.9-171.9 4.3 1.6 -36.2 87 94 A A H 3> S+ 0 0 0 45,-2.3 4,-2.8 1,-0.3 5,-0.2 0.770 119.6 66.3 -63.7 -30.5 1.7 -1.1 -36.7 88 95 A D H 3> S+ 0 0 51 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.894 101.4 50.1 -56.1 -41.2 3.1 -2.2 -40.0 89 96 A D H <> S+ 0 0 0 -3,-0.9 4,-2.0 2,-0.2 69,-0.4 0.904 111.8 47.1 -65.7 -41.6 6.3 -3.4 -38.1 90 97 A V H X S+ 0 0 0 -4,-1.2 4,-2.1 2,-0.2 5,-0.3 0.941 113.0 47.9 -63.7 -47.3 4.2 -5.4 -35.6 91 98 A V H X S+ 0 0 33 -4,-2.8 4,-3.0 1,-0.2 5,-0.3 0.931 111.4 51.7 -62.1 -45.1 2.0 -7.0 -38.4 92 99 A F H X S+ 0 0 8 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.923 108.6 50.9 -52.2 -47.1 5.2 -7.9 -40.3 93 100 A S H X S+ 0 0 5 -4,-2.0 4,-0.5 65,-0.2 -2,-0.2 0.890 117.5 37.7 -67.7 -39.1 6.8 -9.5 -37.3 94 101 A F H >X S+ 0 0 1 -4,-2.1 4,-2.2 2,-0.1 3,-0.7 0.918 117.4 50.1 -71.3 -47.3 3.8 -11.7 -36.5 95 102 A Q H 3X S+ 0 0 43 -4,-3.0 4,-2.4 -5,-0.3 7,-0.3 0.806 96.3 66.2 -72.5 -29.8 2.8 -12.5 -40.1 96 103 A R H 3< S+ 0 0 2 -4,-2.5 -1,-0.3 -5,-0.3 -2,-0.1 0.915 115.1 35.9 -50.9 -38.0 6.3 -13.5 -41.3 97 104 A Q H << S+ 0 0 6 -3,-0.7 -2,-0.2 -4,-0.5 -1,-0.2 0.914 122.3 39.5 -82.3 -48.0 5.7 -16.4 -38.9 98 105 A A H < S+ 0 0 44 -4,-2.2 2,-0.8 1,-0.1 -3,-0.2 0.723 103.8 68.1 -82.2 -25.9 1.9 -17.1 -39.2 99 106 A D >< - 0 0 60 -4,-2.4 3,-1.7 -5,-0.2 6,-0.2 -0.867 61.9-162.9-103.3 106.3 1.5 -16.7 -43.0 100 107 A K T 3 S+ 0 0 148 -2,-0.8 -1,-0.1 1,-0.3 6,-0.1 0.744 92.0 53.7 -58.8 -23.5 3.2 -19.4 -44.9 101 108 A N T 3 S+ 0 0 120 4,-0.1 -1,-0.3 -3,-0.1 -5,-0.1 0.555 78.1 123.8 -88.3 -8.4 3.0 -17.3 -48.1 102 109 A H S X S- 0 0 32 -3,-1.7 3,-1.5 -7,-0.3 4,-0.4 -0.260 70.5-125.0 -55.8 136.9 4.6 -14.3 -46.5 103 110 A P T 3 S+ 0 0 92 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.749 111.1 44.1 -56.2 -28.6 7.7 -13.2 -48.5 104 111 A Y T > S+ 0 0 2 1,-0.2 3,-1.1 2,-0.1 6,-0.2 0.477 85.5 97.2 -95.5 0.1 9.9 -13.4 -45.5 105 112 A H T < S+ 0 0 34 -3,-1.5 -1,-0.2 1,-0.3 -4,-0.1 0.808 96.4 28.5 -59.5 -34.6 8.5 -16.8 -44.3 106 113 A N T > S+ 0 0 119 -4,-0.4 3,-2.0 -3,-0.3 -1,-0.3 0.227 87.6 127.5-110.8 9.2 11.3 -18.8 -45.8 107 114 A V G X S+ 0 0 11 -3,-1.1 3,-1.5 1,-0.3 -3,-0.1 -0.491 84.6 12.0 -65.9 137.5 14.0 -16.2 -45.7 108 115 A S G 3 S- 0 0 36 1,-0.3 -1,-0.3 -2,-0.1 3,-0.1 0.660 121.8 -85.8 65.1 17.7 17.0 -17.7 -43.9 109 116 A A G < S- 0 0 84 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.890 76.8-167.8 52.2 36.0 15.4 -21.1 -44.4 110 117 A G < - 0 0 12 -3,-1.5 2,-0.4 -6,-0.2 -1,-0.2 -0.199 22.0-159.0 -66.6 148.0 13.8 -20.0 -41.1 111 118 A T - 0 0 58 -93,-0.3 2,-1.5 -3,-0.1 3,-0.2 -0.995 14.9-140.7-127.4 131.4 11.7 -22.3 -38.8 112 119 A Y > + 0 0 12 -2,-0.4 4,-2.0 1,-0.2 5,-0.2 -0.471 33.9 163.5 -98.5 67.3 9.3 -20.8 -36.3 113 120 A F H > S+ 0 0 51 -2,-1.5 4,-2.3 1,-0.2 -1,-0.2 0.843 74.2 41.1 -51.0 -46.6 10.0 -23.1 -33.4 114 121 A Y H > S+ 0 0 18 -97,-0.3 4,-2.7 -95,-0.3 6,-0.3 0.908 106.9 60.1 -78.4 -40.1 8.4 -20.9 -30.8 115 122 A F H 4>S+ 0 0 7 -98,-0.3 5,-2.2 1,-0.2 -1,-0.2 0.925 116.2 37.2 -48.2 -44.7 5.4 -19.8 -32.8 116 123 A N H ><5S+ 0 0 91 -4,-2.0 3,-1.8 3,-0.2 -2,-0.2 0.886 111.9 56.4 -77.1 -41.2 4.5 -23.6 -33.0 117 124 A W H 3<5S+ 0 0 85 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.864 109.2 48.4 -59.2 -36.0 5.6 -24.5 -29.5 118 125 A M T 3<5S- 0 0 10 -4,-2.7 -1,-0.3 -5,-0.1 -2,-0.2 0.255 113.5-121.8 -89.2 10.0 3.2 -21.9 -28.1 119 126 A N T X>5 + 0 0 88 -3,-1.8 4,-1.9 -5,-0.1 3,-0.8 0.745 61.7 146.2 60.6 28.6 0.4 -23.2 -30.3 120 127 A L H 3>< + 0 0 0 -5,-2.2 4,-2.5 -6,-0.3 -4,-0.2 0.805 60.7 69.3 -65.4 -30.0 -0.2 -19.9 -32.1 121 128 A P H 34 S+ 0 0 72 0, 0.0 -1,-0.2 0, 0.0 -5,-0.1 0.867 115.6 27.8 -57.6 -28.4 -1.1 -21.6 -35.4 122 129 A S H <4 S+ 0 0 77 -3,-0.8 -2,-0.2 -6,-0.1 18,-0.1 0.696 125.7 46.1-102.5 -25.1 -4.2 -22.8 -33.7 123 130 A I H < S+ 0 0 24 -4,-1.9 17,-2.6 17,-0.1 18,-0.5 0.842 98.7 76.2 -84.0 -36.8 -4.7 -20.0 -31.1 124 131 A L E < +J 139 0C 17 -4,-2.5 15,-0.2 15,-0.2 3,-0.1 -0.637 45.5 171.4 -86.7 121.5 -4.1 -17.0 -33.3 125 132 A K E - 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