==== 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 AMINOTRANSFERASE 06-AUG-98 2AY8 . COMPND 2 MOLECULE: AROMATIC AMINO ACID AMINOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PARACOCCUS DENITRIFICANS; . AUTHOR A.OKAMOTO,K.HIROTSU,H.KAGAMIYAMA . 782 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29484.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 578 73.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 47 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 47 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 1 0.1 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 . 52 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 77 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 315 40.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 1.7 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 0 0 1 2 6 2 3 2 3 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 0 3 1 2 4 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 2 0 0 3 1 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 . 5 1 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 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 M > 0 0 51 0, 0.0 3,-2.4 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 -49.3 114.5 20.1 21.9 2 6 A L G > + 0 0 0 1,-0.3 3,-1.9 2,-0.2 647,-0.0 0.706 360.0 74.4 -57.8 -20.1 113.3 19.6 18.3 3 7 A G G 3 S+ 0 0 35 1,-0.3 -1,-0.3 654,-0.1 646,-0.0 0.772 84.3 66.7 -64.3 -23.1 114.8 16.1 18.5 4 8 A N G < S+ 0 0 122 -3,-2.4 -1,-0.3 2,-0.1 -2,-0.2 0.453 76.4 120.6 -76.1 -1.4 111.8 15.2 20.6 5 9 A L < - 0 0 9 -3,-1.9 499,-0.1 -4,-0.1 653,-0.1 -0.389 66.1-124.6 -65.7 137.6 109.6 15.8 17.6 6 10 A K - 0 0 153 -2,-0.1 2,-0.3 1,-0.1 -1,-0.1 -0.643 32.4 -98.1 -84.9 143.2 107.6 12.7 16.5 7 11 A P - 0 0 105 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.470 39.5-149.8 -63.0 118.1 108.0 11.5 12.9 8 12 A Q - 0 0 58 -2,-0.3 655,-0.1 649,-0.3 656,-0.1 -0.788 18.8-111.7 -95.8 134.9 105.1 12.9 10.8 9 13 A A - 0 0 66 -2,-0.4 -1,-0.1 1,-0.1 0, 0.0 -0.355 36.0-112.3 -66.0 136.3 103.8 10.9 7.8 10 14 A P - 0 0 89 0, 0.0 -1,-0.1 0, 0.0 650,-0.0 0.084 35.9 -89.5 -57.7 177.2 104.5 12.4 4.4 11 15 A D - 0 0 42 1,-0.2 2,-2.2 4,-0.0 -2,-0.1 0.546 42.7-146.4 -70.1 -10.2 101.8 13.7 2.0 12 16 A K S > S+ 0 0 132 1,-0.2 4,-2.3 4,-0.0 5,-0.2 -0.134 86.3 86.1 69.0 -42.5 101.3 10.3 0.3 13 17 A I H > S+ 0 0 90 -2,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.907 89.6 53.4 -50.8 -40.8 100.6 12.1 -3.1 14 18 A L H > S+ 0 0 94 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.955 104.4 51.8 -59.4 -52.9 104.4 11.9 -3.4 15 19 A A H > S+ 0 0 40 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.885 111.6 48.1 -53.5 -42.4 104.6 8.2 -2.8 16 20 A L H X S+ 0 0 53 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.954 114.8 45.1 -63.5 -47.1 102.0 7.6 -5.5 17 21 A M H X S+ 0 0 93 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.809 113.0 51.5 -66.4 -30.8 103.9 9.9 -7.9 18 22 A G H X S+ 0 0 42 -4,-3.1 4,-1.9 2,-0.2 -1,-0.2 0.884 110.8 46.5 -74.0 -40.4 107.2 8.3 -7.0 19 23 A E H X S+ 0 0 95 -4,-2.3 4,-1.2 -5,-0.3 -2,-0.2 0.951 116.0 46.4 -64.9 -48.3 105.9 4.8 -7.6 20 24 A F H >< S+ 0 0 18 -4,-2.5 3,-0.6 1,-0.2 -2,-0.2 0.911 112.0 50.3 -60.6 -46.6 104.3 5.9 -10.9 21 25 A R H 3< S+ 0 0 144 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.859 106.5 55.5 -61.2 -38.9 107.5 7.8 -12.0 22 26 A A H 3< S+ 0 0 77 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.781 82.6 107.3 -64.3 -29.0 109.7 4.8 -11.3 23 27 A D << - 0 0 16 -4,-1.2 5,-0.1 -3,-0.6 -3,-0.0 -0.347 56.5-161.3 -57.3 114.3 107.5 2.7 -13.6 24 28 A P + 0 0 107 0, 0.0 2,-0.4 0, 0.0 -1,-0.2 0.446 49.4 126.5 -77.8 2.1 109.5 2.0 -16.8 25 29 A R > - 0 0 76 1,-0.2 3,-1.4 2,-0.1 -2,-0.1 -0.480 52.6-153.7 -71.2 121.4 106.3 1.1 -18.7 26 30 A Q T 3 S+ 0 0 185 -2,-0.4 -1,-0.2 1,-0.3 -3,-0.0 0.838 94.0 44.1 -59.4 -37.5 105.8 3.1 -21.9 27 31 A G T 3 S+ 0 0 60 2,-0.0 -1,-0.3 -3,-0.0 -2,-0.1 0.123 80.0 140.7 -99.6 22.6 102.1 2.8 -21.7 28 32 A K < - 0 0 52 -3,-1.4 2,-0.3 -5,-0.1 336,-0.2 -0.319 35.4-153.9 -65.8 147.8 101.4 3.5 -18.1 29 33 A I E -a 364 0A 20 334,-2.0 336,-2.3 333,-0.1 2,-0.6 -0.928 4.8-147.4-124.4 145.0 98.4 5.6 -17.2 30 34 A D E +a 365 0A 43 -2,-0.3 3,-0.3 334,-0.2 336,-0.2 -0.882 28.3 158.0-120.2 104.8 97.8 7.8 -14.1 31 35 A L + 0 0 0 334,-3.2 342,-1.1 -2,-0.6 336,-0.3 0.201 62.1 84.4-104.2 12.5 94.3 8.1 -12.7 32 36 A G + 0 0 15 334,-0.2 -1,-0.2 333,-0.2 334,-0.1 0.605 57.8 121.8 -89.6 -12.4 95.4 9.2 -9.3 33 37 A V - 0 0 16 -3,-0.3 343,-0.1 1,-0.1 334,-0.1 -0.139 48.6-159.2 -49.4 144.0 95.8 12.8 -10.2 34 38 A G + 0 0 29 2,-0.1 2,-0.2 339,-0.0 -1,-0.1 0.294 65.5 66.0-112.2 8.3 93.6 15.0 -8.0 35 39 A V S S- 0 0 11 338,-0.0 2,-0.3 420,-0.0 340,-0.1 -0.752 94.0 -83.7-121.1 171.4 93.4 18.1 -10.2 36 40 A Y - 0 0 49 -2,-0.2 2,-0.4 207,-0.1 -2,-0.1 -0.573 43.1-176.1 -78.4 139.9 91.8 18.8 -13.5 37 41 A K - 0 0 63 -2,-0.3 6,-0.2 6,-0.1 -4,-0.0 -0.999 15.7-138.0-136.1 129.1 93.9 17.8 -16.6 38 42 A D > - 0 0 44 4,-2.9 3,-1.8 -2,-0.4 273,-0.0 -0.070 45.2 -75.2 -74.7-171.7 92.8 18.5 -20.2 39 43 A A T 3 S+ 0 0 90 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.776 133.8 48.2 -56.1 -32.9 93.2 16.2 -23.2 40 44 A T T 3 S- 0 0 98 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.520 123.3-103.2 -86.3 -8.3 97.0 16.8 -23.4 41 45 A G S < S+ 0 0 31 -3,-1.8 2,-0.3 1,-0.3 -2,-0.1 0.799 77.5 129.7 91.6 31.9 97.4 16.3 -19.7 42 46 A H - 0 0 119 410,-0.0 -4,-2.9 0, 0.0 -1,-0.3 -0.778 56.5-140.7-116.4 162.8 97.8 19.9 -18.6 43 47 A T - 0 0 10 -2,-0.3 410,-0.7 -6,-0.2 411,-0.3 -0.802 38.2-163.3-119.5 81.0 96.1 22.0 -15.9 44 48 A P B -B 452 0B 50 0, 0.0 2,-0.6 0, 0.0 409,-0.2 -0.081 23.5-108.6 -64.6 161.7 95.7 25.3 -17.8 45 49 A I - 0 0 25 406,-0.5 201,-0.1 407,-0.1 202,-0.1 -0.853 44.7-111.8 -92.4 123.1 95.1 28.7 -16.5 46 50 A M > - 0 0 16 -2,-0.6 4,-2.2 199,-0.4 5,-0.2 -0.201 19.5-121.6 -54.6 148.7 91.5 29.7 -17.4 47 51 A R H > S+ 0 0 124 1,-0.2 4,-1.5 2,-0.2 5,-0.2 0.923 111.8 49.7 -57.6 -50.7 91.2 32.5 -20.0 48 52 A A H > S+ 0 0 0 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.881 110.4 52.0 -58.5 -40.5 89.1 34.7 -17.7 49 53 A V H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.926 108.0 48.8 -64.2 -46.7 91.6 34.3 -14.9 50 54 A H H X S+ 0 0 61 -4,-2.2 4,-1.1 1,-0.2 -1,-0.2 0.793 111.4 53.0 -62.9 -27.9 94.6 35.3 -17.1 51 55 A A H X S+ 0 0 20 -4,-1.5 4,-1.7 2,-0.2 -1,-0.2 0.818 106.8 51.0 -75.4 -34.0 92.6 38.3 -18.1 52 56 A A H X S+ 0 0 0 -4,-1.7 4,-2.6 -3,-0.2 -2,-0.2 0.888 108.4 51.9 -70.7 -38.8 91.9 39.3 -14.5 53 57 A E H X S+ 0 0 20 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.813 108.7 50.5 -67.1 -33.3 95.7 39.1 -13.7 54 58 A Q H X S+ 0 0 86 -4,-1.1 4,-1.0 2,-0.2 -1,-0.2 0.919 112.9 46.6 -68.7 -43.1 96.5 41.3 -16.6 55 59 A R H >X S+ 0 0 95 -4,-1.7 4,-1.4 2,-0.2 3,-0.6 0.901 111.2 51.1 -64.9 -42.6 93.9 43.9 -15.4 56 60 A M H >X S+ 0 0 9 -4,-2.6 4,-2.6 1,-0.2 3,-0.6 0.923 105.7 56.4 -60.8 -43.3 95.1 43.7 -11.8 57 61 A L H 3< S+ 0 0 33 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.770 112.2 43.1 -60.0 -27.8 98.7 44.3 -13.0 58 62 A E H << S+ 0 0 164 -4,-1.0 -1,-0.2 -3,-0.6 -2,-0.2 0.651 121.4 36.5 -92.8 -19.8 97.5 47.5 -14.6 59 63 A T H << S+ 0 0 89 -4,-1.4 -2,-0.2 -3,-0.6 -3,-0.2 0.801 85.1 98.1-104.5 -37.0 95.2 48.8 -11.9 60 64 A E < + 0 0 45 -4,-2.6 375,-0.1 -5,-0.2 3,-0.1 -0.368 38.7 175.5 -59.8 125.2 96.8 48.0 -8.5 61 66 A T + 0 0 119 -2,-0.1 374,-0.4 1,-0.1 2,-0.3 0.576 64.5 16.5-104.5 -17.1 98.7 51.0 -7.2 62 67 A T - 0 0 31 372,-0.1 -1,-0.1 2,-0.1 373,-0.1 -0.915 47.6-152.3-148.8 171.9 99.6 49.5 -3.8 63 68 A K + 0 0 6 370,-0.4 576,-2.7 -2,-0.3 577,-0.3 0.068 46.7 143.3-135.7 20.3 99.9 46.3 -1.8 64 69 A T - 0 0 30 369,-0.3 575,-0.1 574,-0.2 -2,-0.1 -0.029 66.9 -67.2 -57.3 167.0 99.4 47.7 1.7 65 70 A Y - 0 0 47 573,-0.1 -1,-0.2 1,-0.1 2,-0.1 -0.272 61.4-174.2 -57.9 140.8 97.4 45.6 4.2 66 71 A A - 0 0 26 1,-0.2 2,-0.1 -3,-0.1 -1,-0.1 -0.297 42.3 -16.8-117.2-153.4 93.8 45.3 3.2 67 72 A G > - 0 0 26 -2,-0.1 3,-1.0 1,-0.1 -1,-0.2 -0.291 49.4-144.1 -60.5 130.7 90.7 43.8 4.9 68 73 A L T 3 S+ 0 0 37 1,-0.3 -1,-0.1 214,-0.1 3,-0.1 0.774 102.2 31.6 -61.8 -35.6 91.3 41.4 7.8 69 74 A S T 3 S- 0 0 24 1,-0.5 27,-2.1 213,-0.1 -1,-0.3 0.205 131.7 -77.3-109.6 15.4 88.4 39.1 6.9 70 75 A G < - 0 0 8 -3,-1.0 -1,-0.5 25,-0.2 215,-0.1 -0.607 59.8 -61.2 115.4 176.4 88.6 39.7 3.2 71 76 A E >> - 0 0 58 -2,-0.2 4,-2.1 1,-0.1 3,-1.1 -0.861 42.0-124.0 -98.9 140.3 87.6 42.4 0.8 72 77 A P H 3> S+ 0 0 93 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.870 110.2 58.7 -48.1 -44.1 83.9 43.3 0.6 73 78 A E H 3> S+ 0 0 78 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.875 110.0 43.0 -55.6 -40.1 83.8 42.7 -3.2 74 79 A F H <> S+ 0 0 2 -3,-1.1 4,-2.7 2,-0.2 5,-0.2 0.926 113.4 49.2 -72.9 -47.1 85.0 39.1 -2.7 75 80 A Q H X S+ 0 0 36 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.920 115.8 44.4 -58.5 -46.1 82.7 38.3 0.2 76 81 A K H X S+ 0 0 91 -4,-2.7 4,-2.1 -5,-0.2 5,-0.2 0.950 114.0 47.9 -64.6 -52.6 79.7 39.7 -1.6 77 82 A A H X S+ 0 0 7 -4,-2.0 4,-2.3 -5,-0.3 -2,-0.2 0.890 113.5 49.0 -58.2 -39.5 80.5 38.1 -4.9 78 83 A M H X S+ 0 0 4 -4,-2.7 4,-2.2 2,-0.2 5,-0.2 0.922 109.7 49.8 -67.1 -46.7 81.1 34.7 -3.2 79 84 A G H X>S+ 0 0 1 -4,-2.3 4,-2.8 -5,-0.2 5,-0.5 0.877 113.5 47.7 -60.4 -36.8 77.9 34.7 -1.2 80 85 A E H X5S+ 0 0 91 -4,-2.1 4,-1.5 3,-0.2 -2,-0.2 0.916 109.5 51.6 -71.3 -41.1 76.0 35.5 -4.4 81 86 A L H <5S+ 0 0 7 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.872 122.7 32.7 -62.7 -33.7 77.7 32.8 -6.4 82 87 A I H <5S+ 0 0 0 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.952 132.5 24.1 -88.3 -57.5 76.8 30.3 -3.7 83 88 A L H ><5S- 0 0 9 -4,-2.8 3,-1.4 -5,-0.2 -3,-0.2 0.567 86.9-167.2 -88.8 -10.1 73.5 31.3 -2.2 84 89 A G G ><< - 0 0 16 -4,-1.5 3,-2.0 -5,-0.5 -1,-0.2 -0.214 66.4 -12.2 59.0-145.6 72.1 33.3 -5.1 85 90 A D G 3 S+ 0 0 173 1,-0.3 -1,-0.3 3,-0.0 -2,-0.1 0.728 128.2 74.4 -58.5 -23.6 69.1 35.5 -4.5 86 91 A G G < + 0 0 36 -3,-1.4 2,-0.8 -6,-0.1 -1,-0.3 0.456 64.4 128.9 -71.3 0.7 68.7 33.8 -1.2 87 95 A L < - 0 0 26 -3,-2.0 2,-1.3 1,-0.1 3,-0.1 -0.434 41.9-166.9 -64.2 105.1 71.6 35.7 0.2 88 96 A K > - 0 0 125 -2,-0.8 3,-2.0 1,-0.2 4,-0.4 -0.676 6.1-177.4 -93.7 81.9 70.4 37.2 3.4 89 97 A S G > S+ 0 0 64 -2,-1.3 3,-1.4 1,-0.3 -1,-0.2 0.834 75.5 67.6 -46.8 -41.1 73.3 39.7 4.1 90 98 A E G 3 S+ 0 0 132 1,-0.3 -1,-0.3 -3,-0.1 175,-0.2 0.759 113.8 28.1 -52.8 -31.1 71.7 40.8 7.4 91 99 A T G < S+ 0 0 26 -3,-2.0 168,-2.9 174,-0.1 2,-0.5 0.213 99.6 101.3-119.7 15.7 72.4 37.3 8.9 92 100 A T E < -C 258 0C 10 -3,-1.4 2,-0.4 -4,-0.4 166,-0.2 -0.887 47.9-165.6-109.5 126.2 75.5 36.2 6.9 93 101 A A E -C 257 0C 0 164,-2.9 164,-3.2 -2,-0.5 2,-0.4 -0.888 14.0-164.3-104.1 138.4 79.1 36.3 8.3 94 102 A T E -C 256 0C 15 -2,-0.4 2,-0.4 162,-0.2 162,-0.2 -0.956 11.1-174.0-129.5 146.9 81.9 35.9 5.7 95 103 A L E -C 255 0C 0 160,-2.0 160,-2.5 -2,-0.4 2,-0.4 -0.978 21.5-137.4-143.2 124.0 85.6 35.1 6.0 96 104 A A E -C 254 0C 5 -27,-2.1 158,-0.3 -2,-0.4 2,-0.2 -0.668 37.1-177.3 -76.6 129.4 88.3 35.0 3.3 97 105 A T E -C 253 0C 4 156,-2.2 2,-1.4 -2,-0.4 156,-1.2 -0.673 40.0 -93.3-123.9 176.1 90.5 32.0 4.0 98 106 A V E > S-C 252 0C 0 -2,-0.2 4,-1.3 154,-0.2 154,-0.3 -0.742 92.2 -49.3 -92.5 84.6 93.6 30.3 2.7 99 107 A G H > S- 0 0 0 -2,-1.4 4,-1.8 152,-0.8 154,-0.3 0.077 82.5 -63.9 73.6 172.4 91.8 27.9 0.3 100 108 A G H > S+ 0 0 6 152,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.854 136.1 59.0 -62.0 -33.2 88.8 25.7 1.1 101 109 A T H > S+ 0 0 10 569,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.897 103.6 50.8 -63.2 -40.6 91.0 23.8 3.6 102 110 A G H X S+ 0 0 3 -4,-1.3 4,-2.6 568,-0.4 -1,-0.2 0.921 109.3 52.2 -62.1 -40.4 91.6 27.0 5.5 103 111 A A H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.876 109.4 48.8 -61.4 -41.6 87.8 27.5 5.5 104 112 A L H X S+ 0 0 5 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.942 111.6 48.8 -63.9 -49.2 87.3 24.0 7.0 105 113 A R H X S+ 0 0 13 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.924 114.1 45.7 -56.9 -48.3 89.9 24.5 9.7 106 114 A Q H X S+ 0 0 6 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.925 109.7 54.5 -62.5 -44.1 88.4 27.9 10.7 107 115 A A H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.912 109.9 47.7 -55.4 -45.7 84.8 26.5 10.7 108 116 A L H X S+ 0 0 4 -4,-2.3 4,-2.3 1,-0.2 5,-0.2 0.911 111.8 49.7 -62.5 -43.5 85.9 23.8 13.1 109 117 A E H X S+ 0 0 25 -4,-2.2 4,-1.2 -5,-0.2 -2,-0.2 0.865 112.7 48.9 -64.1 -35.4 87.7 26.3 15.3 110 118 A L H X S+ 0 0 0 -4,-2.7 4,-1.7 2,-0.2 -2,-0.2 0.968 111.8 45.7 -68.3 -55.0 84.5 28.5 15.3 111 119 A A H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 3,-0.4 0.921 114.2 48.4 -54.7 -50.0 82.1 25.7 16.1 112 120 A R H < S+ 0 0 85 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