==== 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 2AY6 . 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) . 29673.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 567 72.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 5.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 42 5.4 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 . 2 0.3 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 . 47 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 9.2 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 . 12 1.5 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 0 0 0 3 2 3 4 3 2 3 0 3 0 1 0 0 0 0 0 0 0 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 0 4 0 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 . 3 1 1 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 . 4 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 49 0, 0.0 3,-2.6 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 -52.0 114.6 20.3 22.0 2 6 A L G > + 0 0 0 1,-0.3 3,-0.8 2,-0.1 503,-0.0 0.502 360.0 77.7 -55.6 -3.1 113.4 19.7 18.4 3 7 A G G 3 S+ 0 0 40 1,-0.2 -1,-0.3 501,-0.1 646,-0.0 0.688 78.7 69.8 -81.0 -16.1 114.8 16.1 18.7 4 8 A N G < S+ 0 0 100 -3,-2.6 2,-0.5 500,-0.1 -1,-0.2 0.217 71.9 124.3 -82.9 11.4 111.7 15.1 20.7 5 9 A L < - 0 0 8 -3,-0.8 499,-0.1 -4,-0.1 3,-0.0 -0.661 64.0-131.7 -78.4 119.7 109.6 15.5 17.6 6 10 A K - 0 0 152 -2,-0.5 -2,-0.1 497,-0.1 -1,-0.0 -0.569 38.3-101.4 -69.1 127.9 107.6 12.3 16.7 7 11 A P - 0 0 105 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.313 37.6-140.5 -55.7 127.5 108.3 11.7 13.0 8 12 A Q - 0 0 62 649,-0.3 653,-0.1 1,-0.1 652,-0.0 -0.692 17.8-111.4 -91.6 146.2 105.3 12.8 10.9 9 13 A A - 0 0 69 -2,-0.3 -1,-0.1 1,-0.1 2,-0.0 -0.520 30.6-113.9 -80.8 140.4 104.1 10.8 7.9 10 14 A P - 0 0 89 0, 0.0 -1,-0.1 0, 0.0 650,-0.0 -0.264 36.3 -97.2 -66.2 160.5 104.5 12.2 4.3 11 15 A D - 0 0 49 1,-0.2 2,-2.1 4,-0.0 -2,-0.0 0.367 43.2-132.3 -62.7 4.2 101.4 13.1 2.2 12 16 A K S > S+ 0 0 120 1,-0.2 4,-2.1 4,-0.0 3,-0.5 -0.086 91.5 94.4 70.2 -40.7 101.5 9.7 0.5 13 17 A I H > S+ 0 0 104 -2,-2.1 4,-3.4 1,-0.3 5,-0.4 0.899 81.8 56.8 -45.2 -44.9 101.1 11.5 -2.9 14 18 A L H > S+ 0 0 84 1,-0.3 4,-2.6 2,-0.2 -1,-0.3 0.912 106.2 46.1 -55.2 -47.5 104.9 11.3 -3.0 15 19 A A H > S+ 0 0 49 -3,-0.5 4,-1.5 2,-0.2 -1,-0.3 0.800 114.8 51.0 -67.8 -27.6 105.1 7.5 -2.7 16 20 A L H X S+ 0 0 64 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.978 116.5 36.4 -72.4 -57.2 102.3 7.4 -5.3 17 21 A M H X S+ 0 0 75 -4,-3.4 4,-2.0 1,-0.2 -2,-0.2 0.800 113.4 61.8 -66.1 -27.9 104.0 9.6 -7.9 18 22 A G H X S+ 0 0 21 -4,-2.6 4,-1.2 -5,-0.4 -1,-0.2 0.931 107.9 41.0 -63.5 -45.9 107.3 8.1 -6.9 19 23 A E H X S+ 0 0 86 -4,-1.5 4,-1.3 1,-0.2 -2,-0.2 0.879 110.9 57.8 -69.6 -39.6 106.3 4.6 -7.9 20 24 A F H < S+ 0 0 32 -4,-2.1 3,-0.2 1,-0.2 -1,-0.2 0.886 109.4 44.6 -58.3 -41.0 104.6 5.9 -11.1 21 25 A R H < S+ 0 0 162 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.761 106.1 61.1 -73.6 -29.9 107.8 7.5 -12.3 22 26 A A H < S+ 0 0 77 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.790 80.8 104.0 -66.5 -27.9 109.8 4.3 -11.4 23 27 A D < - 0 0 23 -4,-1.3 5,-0.1 -3,-0.2 -3,-0.0 -0.390 56.4-164.0 -61.7 120.3 107.7 2.4 -13.8 24 28 A P + 0 0 123 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 0.569 50.7 121.5 -79.6 -12.6 109.8 1.7 -17.0 25 29 A R > - 0 0 86 1,-0.1 3,-0.9 2,-0.1 -2,-0.0 -0.343 58.4-144.9 -61.1 130.2 106.6 0.8 -19.0 26 30 A Q T 3 S+ 0 0 197 1,-0.2 2,-0.9 -2,-0.1 -1,-0.1 0.976 92.9 38.6 -56.9 -67.2 105.9 2.9 -22.0 27 31 A G T 3 S+ 0 0 63 2,-0.0 -1,-0.2 337,-0.0 2,-0.1 -0.176 79.3 147.0 -85.9 43.7 102.1 3.1 -22.0 28 32 A K < - 0 0 55 -3,-0.9 2,-0.3 -2,-0.9 336,-0.2 -0.482 33.6-148.9 -75.3 150.4 101.6 3.4 -18.2 29 33 A I E -a 364 0A 16 334,-2.4 336,-2.1 -2,-0.1 2,-0.5 -0.906 7.7-151.5-124.1 149.5 98.5 5.5 -17.1 30 34 A D E +a 365 0A 38 -2,-0.3 336,-0.2 334,-0.2 3,-0.1 -0.956 27.2 155.6-124.0 113.5 97.9 7.8 -14.1 31 35 A L + 0 0 1 334,-2.7 342,-0.6 -2,-0.5 336,-0.2 0.258 62.8 82.7-113.8 6.9 94.3 8.2 -12.8 32 36 A G + 0 0 15 333,-0.2 334,-0.1 334,-0.2 -1,-0.1 0.607 58.3 120.4 -86.5 -14.7 95.4 9.1 -9.3 33 37 A V - 0 0 26 1,-0.1 343,-0.1 340,-0.1 4,-0.1 -0.228 54.7-150.3 -52.2 135.7 96.1 12.8 -10.0 34 38 A G + 0 0 34 2,-0.1 2,-0.2 339,-0.0 -1,-0.1 0.465 68.7 70.0 -91.1 -1.0 93.9 15.0 -7.9 35 39 A V S S- 0 0 14 1,-0.0 2,-0.2 420,-0.0 340,-0.0 -0.722 89.0 -91.7-115.3 165.9 93.7 18.0 -10.2 36 40 A Y - 0 0 47 -2,-0.2 2,-0.4 8,-0.1 -2,-0.1 -0.504 39.7-175.5 -74.9 142.0 92.0 18.6 -13.6 37 41 A K - 0 0 55 -2,-0.2 6,-0.2 6,-0.1 2,-0.0 -0.998 12.7-143.2-139.9 133.7 94.0 17.9 -16.7 38 42 A D > - 0 0 48 4,-2.9 3,-2.1 -2,-0.4 4,-0.1 -0.131 46.7 -70.8 -82.6-169.0 92.9 18.6 -20.3 39 43 A A T 3 S+ 0 0 102 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.825 131.0 54.6 -52.7 -41.2 93.5 16.6 -23.4 40 44 A T T 3 S- 0 0 89 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.489 119.9-106.3 -74.6 -4.6 97.3 17.5 -23.6 41 45 A G S < S+ 0 0 41 -3,-2.1 2,-0.3 1,-0.3 -2,-0.1 0.712 81.0 126.2 83.8 23.5 97.8 16.2 -20.0 42 46 A H - 0 0 115 -4,-0.1 -4,-2.9 410,-0.0 -1,-0.3 -0.736 62.7-136.0-114.2 162.5 98.1 19.7 -18.7 43 47 A T - 0 0 6 -2,-0.3 410,-0.5 -6,-0.2 411,-0.3 -0.864 39.3-160.5-115.7 87.7 96.4 21.8 -16.0 44 48 A P - 0 0 43 0, 0.0 2,-0.4 0, 0.0 409,-0.2 -0.140 20.4-113.5 -70.0 161.8 95.8 25.2 -17.8 45 49 A I - 0 0 29 406,-0.3 2,-0.1 407,-0.1 201,-0.1 -0.816 42.7-111.3 -92.3 135.8 95.2 28.6 -16.5 46 50 A M > - 0 0 15 199,-0.4 4,-2.4 -2,-0.4 3,-0.3 -0.487 18.5-124.2 -70.7 143.5 91.7 29.7 -17.4 47 51 A R H > S+ 0 0 131 1,-0.2 4,-1.5 2,-0.2 5,-0.2 0.883 111.8 50.9 -53.1 -47.2 91.5 32.6 -20.0 48 52 A A H > S+ 0 0 0 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.861 110.4 51.5 -61.8 -35.0 89.3 34.8 -17.7 49 53 A V H > S+ 0 0 0 -3,-0.3 4,-1.9 1,-0.2 -2,-0.2 0.941 108.5 48.8 -67.7 -48.5 91.9 34.2 -14.9 50 54 A H H X S+ 0 0 63 -4,-2.4 4,-0.8 1,-0.2 -1,-0.2 0.759 111.7 51.4 -62.2 -28.7 94.9 35.2 -17.1 51 55 A A H X S+ 0 0 13 -4,-1.5 4,-2.4 -5,-0.2 -1,-0.2 0.847 105.3 55.0 -76.4 -36.0 93.0 38.3 -18.2 52 56 A A H X S+ 0 0 0 -4,-1.7 4,-2.6 1,-0.2 -2,-0.2 0.913 106.1 51.7 -63.6 -42.8 92.2 39.3 -14.6 53 57 A E H X S+ 0 0 22 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.814 108.3 52.1 -64.4 -31.1 95.9 39.2 -13.7 54 58 A Q H X S+ 0 0 68 -4,-0.8 4,-1.1 2,-0.2 -2,-0.2 0.960 111.0 46.6 -68.4 -49.3 96.7 41.5 -16.7 55 59 A R H >X S+ 0 0 104 -4,-2.4 4,-1.4 1,-0.2 3,-0.6 0.893 112.8 49.9 -57.1 -44.5 94.1 44.0 -15.5 56 60 A M H 3X S+ 0 0 9 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.852 104.3 59.1 -63.2 -35.2 95.4 43.8 -12.0 57 61 A L H 3< S+ 0 0 35 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.767 113.1 39.1 -66.3 -24.9 98.9 44.4 -13.2 58 62 A E H << S+ 0 0 155 -4,-1.1 -1,-0.2 -3,-0.6 -2,-0.2 0.641 123.7 35.9 -99.3 -20.4 97.8 47.7 -14.7 59 63 A T H < S+ 0 0 95 -4,-1.4 2,-0.5 -5,-0.2 -2,-0.2 0.691 85.7 100.0-105.9 -27.1 95.5 49.0 -12.0 60 64 A E < + 0 0 41 -4,-2.4 375,-0.1 -5,-0.2 3,-0.1 -0.525 39.7 170.7 -66.1 115.6 97.1 47.8 -8.8 61 66 A T + 0 0 118 -2,-0.5 374,-0.5 1,-0.2 2,-0.3 0.660 61.7 18.5 -98.9 -23.6 98.9 50.9 -7.4 62 67 A T - 0 0 33 372,-0.1 -1,-0.2 2,-0.1 373,-0.1 -0.940 47.4-154.9-145.0 164.1 99.8 49.6 -4.0 63 68 A K + 0 0 4 370,-0.5 576,-2.4 -2,-0.3 577,-0.3 -0.022 47.3 142.9-128.9 25.2 100.2 46.4 -2.0 64 69 A T - 0 0 32 369,-0.3 575,-0.1 574,-0.2 -2,-0.1 -0.084 66.2 -67.3 -59.7 168.7 99.6 47.8 1.5 65 70 A Y - 0 0 38 573,-0.1 -1,-0.2 1,-0.1 2,-0.1 -0.300 61.0-177.8 -60.2 138.8 97.7 45.8 4.1 66 71 A A - 0 0 17 1,-0.2 2,-0.2 217,-0.1 -1,-0.1 -0.222 41.7 -15.1-117.5-150.8 94.0 45.4 3.2 67 72 A G > - 0 0 22 1,-0.1 3,-0.9 -2,-0.1 -1,-0.2 -0.334 45.0-147.2 -62.8 129.6 91.0 43.7 4.9 68 73 A L T 3 S+ 0 0 32 1,-0.3 -1,-0.1 -2,-0.2 3,-0.1 0.769 104.5 32.1 -63.3 -29.4 91.6 41.3 7.8 69 74 A S T 3 S- 0 0 26 1,-0.5 27,-2.1 213,-0.1 -1,-0.3 0.278 130.5 -82.4-111.6 9.1 88.6 39.2 6.7 70 75 A G < - 0 0 9 -3,-0.9 -1,-0.5 25,-0.2 -2,-0.1 -0.534 57.7 -58.4 113.9 173.9 88.9 39.8 3.0 71 76 A E >> - 0 0 63 -2,-0.2 4,-2.2 1,-0.1 3,-1.0 -0.762 42.6-124.9 -93.7 140.9 87.8 42.6 0.6 72 77 A P H 3> S+ 0 0 94 0, 0.0 4,-2.7 0, 0.0 5,-0.4 0.899 110.3 58.1 -49.8 -44.8 84.1 43.5 0.4 73 78 A E H 3> S+ 0 0 82 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.841 111.1 43.3 -56.4 -35.2 84.1 42.9 -3.3 74 79 A F H <> S+ 0 0 3 -3,-1.0 4,-2.7 2,-0.2 5,-0.2 0.960 114.0 46.6 -75.7 -54.4 85.3 39.4 -2.8 75 80 A Q H X S+ 0 0 28 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.934 116.8 45.5 -53.8 -49.1 83.1 38.4 0.1 76 81 A K H X S+ 0 0 106 -4,-2.7 4,-2.3 -5,-0.2 5,-0.2 0.955 113.4 49.0 -59.6 -53.6 80.0 39.8 -1.6 77 82 A A H X S+ 0 0 6 -4,-1.6 4,-1.6 -5,-0.4 -1,-0.2 0.826 112.7 48.2 -57.1 -37.5 80.8 38.2 -4.9 78 83 A M H X S+ 0 0 5 -4,-2.7 4,-2.4 2,-0.2 5,-0.2 0.934 109.2 52.2 -70.3 -45.8 81.4 34.8 -3.3 79 84 A G H X>S+ 0 0 1 -4,-2.6 4,-3.0 -5,-0.2 5,-0.5 0.906 111.8 46.5 -56.8 -43.6 78.2 34.9 -1.3 80 85 A E H X5S+ 0 0 86 -4,-2.3 4,-1.6 3,-0.2 -1,-0.2 0.887 110.2 54.2 -67.1 -37.0 76.1 35.7 -4.4 81 86 A L H <5S+ 0 0 11 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.891 120.4 31.1 -63.6 -41.2 77.9 33.0 -6.4 82 87 A I H <5S+ 0 0 0 -4,-2.4 -2,-0.2 2,-0.1 144,-0.2 0.927 135.0 24.2 -83.8 -51.5 77.1 30.3 -3.7 83 88 A L H ><5S- 0 0 10 -4,-3.0 3,-1.5 -5,-0.2 -3,-0.2 0.570 86.4-168.2 -94.0 -12.5 73.7 31.5 -2.3 84 89 A G G ><< - 0 0 18 -4,-1.6 3,-1.8 -5,-0.5 -1,-0.2 -0.268 68.4 -7.6 60.9-143.1 72.4 33.6 -5.2 85 90 A D G 3 S+ 0 0 180 1,-0.3 -1,-0.3 3,-0.0 -5,-0.1 0.704 128.2 72.9 -58.0 -21.5 69.4 35.8 -4.7 86 91 A G G < + 0 0 47 -3,-1.5 2,-1.0 -6,-0.1 -1,-0.3 0.310 61.5 129.4 -78.4 8.4 69.1 34.2 -1.3 87 95 A L < - 0 0 31 -3,-1.8 2,-1.2 1,-0.1 -7,-0.1 -0.542 41.1-167.6 -69.4 102.2 72.2 36.0 0.0 88 96 A K > - 0 0 137 -2,-1.0 3,-1.5 1,-0.2 4,-0.1 -0.709 5.4-176.3 -93.8 83.6 70.8 37.4 3.3 89 97 A S G > S+ 0 0 71 -2,-1.2 3,-2.2 1,-0.3 -1,-0.2 0.832 72.9 65.6 -45.7 -51.1 73.6 39.9 4.1 90 98 A E G 3 S+ 0 0 144 1,-0.3 -1,-0.3 3,-0.0 175,-0.2 0.765 115.0 31.5 -45.7 -34.6 72.2 41.0 7.5 91 99 A T G < S+ 0 0 18 -3,-1.5 168,-2.6 174,-0.1 2,-0.5 0.124 100.9 98.1-115.0 19.3 72.7 37.5 8.9 92 100 A T E < -B 258 0B 12 -3,-2.2 2,-0.4 166,-0.2 166,-0.2 -0.926 47.9-168.3-116.5 130.2 75.8 36.4 6.9 93 101 A A E -B 257 0B 0 164,-2.6 164,-3.3 -2,-0.5 2,-0.4 -0.934 13.0-163.5-112.1 138.1 79.4 36.6 8.2 94 102 A T E -B 256 0B 14 -2,-0.4 2,-0.4 162,-0.2 162,-0.2 -0.959 11.5-172.5-129.7 145.7 82.2 36.0 5.7 95 103 A L E -B 255 0B 0 160,-2.2 160,-2.4 -2,-0.4 2,-0.3 -0.970 20.0-139.6-139.9 119.4 85.9 35.2 5.9 96 104 A A E -B 254 0B 5 -27,-2.1 158,-0.3 -2,-0.4 2,-0.3 -0.604 36.6-172.5 -71.9 135.8 88.5 35.0 3.1 97 105 A T E -B 253 0B 3 156,-2.7 2,-1.5 -2,-0.3 156,-1.3 -0.827 37.5 -95.0-129.8 169.7 90.6 32.0 3.8 98 106 A V E > S-B 252 0B 0 -2,-0.3 4,-1.2 154,-0.2 154,-0.3 -0.702 94.1 -47.3 -85.4 88.2 93.8 30.3 2.6 99 107 A G H > S- 0 0 0 -2,-1.5 4,-1.6 152,-0.8 154,-0.3 0.052 83.6 -66.4 71.0 174.5 92.1 27.9 0.3 100 108 A G H > S+ 0 0 7 152,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.856 135.3 62.6 -66.1 -32.1 89.0 25.8 1.1 101 109 A T H > S+ 0 0 9 569,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.852 101.9 51.3 -60.9 -34.0 91.2 23.9 3.6 102 110 A G H X S+ 0 0 2 -4,-1.2 4,-2.8 568,-0.4 5,-0.3 0.954 108.1 52.1 -66.1 -45.6 91.7 27.2 5.5 103 111 A A H X S+ 0 0 0 -4,-1.6 4,-2.1 136,-0.2 -2,-0.2 0.885 110.5 47.9 -55.9 -43.9 87.9 27.6 5.5 104 112 A L H X S+ 0 0 4 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.964 111.7 49.1 -63.3 -52.8 87.5 24.1 6.9 105 113 A R H X S+ 0 0 14 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.910 114.4 45.0 -51.5 -50.7 90.1 24.7 9.7 106 114 A Q H X S+ 0 0 6 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.848 109.4 55.4 -64.3 -37.9 88.6 28.0 10.7 107 115 A A H X S+ 0 0 0 -4,-2.1 4,-2.5 -5,-0.3 -1,-0.2 0.906 110.0 46.9 -62.8 -40.2 85.0 26.7 10.6 108 116 A L H X S+ 0 0 3 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.907 112.3 48.9 -67.2 -43.2 86.1 23.9 13.1 109 117 A E H X S+ 0 0 10 -4,-2.2 4,-1.2 -5,-0.2 -2,-0.2 0.855 112.5 50.3 -64.2 -35.6 87.9 26.5 15.3 110 118 A L H X S+ 0 0 0 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.946 111.9 44.9 -67.0 -52.4 84.8 28.7 15.2 111 119 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 3,-0.4 0.921 111.4 52.8 -59.4 -46.8 82.4 25.9 16.2 112 120 A R H < S+ 0 0 80 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.826 105.5 56.8 -60.9 -30.8 84.6 24.6 18.9 113 121 A M H < S+ 0 0 65 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.878 113.3 38.6 -67.3 -38.2 84.7 28.1 20.4 114 122 A A H < S+ 0 0 7 -4,-1.4 -2,-0.2 -3,-0.4 -1,-0.2 0.725 133.0 24.6 -82.5 -26.7 80.9 28.2 20.6 115 123 A N >< - 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