==== 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 2AY5 . 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) . 29968.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 579 74.0 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 . 44 5.6 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 . 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 . 50 6.4 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 . 319 40.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.4 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 2 0 0 0 2 1 4 2 5 2 4 0 3 0 1 0 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 1 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 . 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 48 0, 0.0 3,-2.4 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 -43.7 114.9 20.5 21.8 2 6 A L G > + 0 0 0 1,-0.3 3,-0.6 2,-0.2 656,-0.1 0.490 360.0 76.9 -60.0 -0.9 113.6 19.8 18.3 3 7 A G G 3 S+ 0 0 42 1,-0.2 -1,-0.3 654,-0.1 646,-0.0 0.692 82.2 64.5 -82.4 -18.8 114.8 16.2 18.7 4 8 A N G < S+ 0 0 107 -3,-2.4 -1,-0.2 500,-0.1 -2,-0.2 0.445 79.6 116.9 -79.4 -4.9 111.9 15.3 20.9 5 9 A L < - 0 0 4 -3,-0.6 499,-0.1 -4,-0.2 653,-0.1 -0.419 68.5-125.0 -65.0 138.4 109.7 15.9 17.9 6 10 A K - 0 0 148 497,-0.1 2,-0.2 -2,-0.1 -1,-0.1 -0.699 29.4-101.7 -89.0 139.3 107.8 12.9 16.6 7 11 A P - 0 0 100 0, 0.0 2,-0.4 0, 0.0 650,-0.1 -0.421 37.0-149.7 -61.9 122.1 108.3 11.9 13.0 8 12 A Q - 0 0 57 649,-0.3 655,-0.1 -2,-0.2 656,-0.0 -0.779 23.5-103.7 -94.7 142.1 105.3 13.0 11.0 9 13 A A - 0 0 67 -2,-0.4 -1,-0.1 1,-0.1 655,-0.0 -0.304 38.7-102.9 -66.6 145.1 104.2 11.0 8.0 10 14 A P - 0 0 95 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.124 40.5 -94.5 -60.8 166.0 105.0 12.2 4.4 11 15 A D - 0 0 49 1,-0.2 2,-2.6 2,-0.0 -2,-0.1 0.588 46.6-147.7 -60.3 -10.7 102.3 13.8 2.3 12 16 A K S >> S+ 0 0 128 1,-0.2 4,-2.5 4,-0.0 3,-0.7 -0.313 85.3 78.7 74.0 -56.7 101.8 10.3 0.7 13 17 A I H 3> S+ 0 0 107 -2,-2.6 4,-2.4 1,-0.3 5,-0.2 0.871 90.8 53.8 -48.4 -42.5 100.8 11.8 -2.6 14 18 A L H 3> S+ 0 0 90 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.880 107.9 49.0 -62.6 -38.4 104.5 12.3 -3.4 15 19 A A H <> S+ 0 0 51 -3,-0.7 4,-1.9 2,-0.2 -1,-0.2 0.915 108.9 54.9 -67.1 -39.2 105.3 8.7 -2.7 16 20 A L H X S+ 0 0 69 -4,-2.5 4,-1.4 1,-0.2 -2,-0.2 0.924 110.9 43.1 -59.4 -47.4 102.4 7.8 -5.0 17 21 A M H X S+ 0 0 78 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.803 107.2 64.9 -69.3 -27.7 103.8 9.8 -7.8 18 22 A G H X S+ 0 0 21 -4,-1.8 4,-1.4 -5,-0.2 -2,-0.2 0.922 102.7 44.8 -60.6 -46.7 107.2 8.4 -7.0 19 23 A E H X S+ 0 0 91 -4,-1.9 4,-1.4 2,-0.2 -1,-0.2 0.893 110.8 55.4 -64.6 -41.1 106.2 4.8 -7.8 20 24 A F H >< S+ 0 0 32 -4,-1.4 3,-0.9 1,-0.2 -2,-0.2 0.962 107.8 47.5 -56.2 -54.4 104.5 6.0 -11.0 21 25 A R H 3< S+ 0 0 156 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.793 107.5 57.1 -57.9 -35.2 107.7 7.7 -12.3 22 26 A A H 3< S+ 0 0 78 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.823 80.4 106.2 -66.5 -32.6 109.9 4.6 -11.5 23 27 A D << - 0 0 21 -4,-1.4 5,-0.1 -3,-0.9 -3,-0.0 -0.301 58.6-158.7 -53.7 115.3 107.7 2.4 -13.7 24 28 A P + 0 0 122 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.401 50.7 126.0 -78.1 3.1 109.7 1.7 -16.9 25 29 A R > - 0 0 82 1,-0.1 3,-0.8 2,-0.1 -2,-0.0 -0.491 55.0-148.4 -71.3 129.4 106.5 0.8 -18.8 26 30 A Q T 3 S+ 0 0 203 -2,-0.3 2,-0.7 1,-0.3 -1,-0.1 0.942 92.5 39.4 -60.3 -52.8 105.9 2.7 -22.0 27 31 A G T 3 S+ 0 0 61 2,-0.0 -1,-0.3 337,-0.0 2,-0.2 -0.359 80.0 145.9-100.8 55.4 102.1 2.8 -21.9 28 32 A K < - 0 0 52 -3,-0.8 2,-0.3 -2,-0.7 336,-0.2 -0.547 32.2-150.8 -86.1 155.9 101.4 3.5 -18.2 29 33 A I E -a 364 0A 16 334,-2.2 336,-2.6 -2,-0.2 2,-0.5 -0.952 5.4-151.2-130.1 148.3 98.5 5.6 -17.1 30 34 A D E +a 365 0A 41 -2,-0.3 3,-0.3 334,-0.2 336,-0.2 -0.882 28.5 154.6-125.2 102.6 97.8 7.8 -14.1 31 35 A L + 0 0 0 334,-3.2 342,-0.8 -2,-0.5 336,-0.3 0.263 62.7 85.7-104.3 8.8 94.3 8.3 -12.8 32 36 A G + 0 0 23 333,-0.3 -1,-0.2 334,-0.2 334,-0.1 0.664 58.7 116.3 -81.7 -19.5 95.5 9.0 -9.3 33 37 A V - 0 0 27 -3,-0.3 343,-0.1 1,-0.1 334,-0.1 -0.165 52.2-158.7 -49.2 142.1 96.1 12.7 -10.0 34 38 A G + 0 0 28 2,-0.1 2,-0.3 339,-0.1 -1,-0.1 0.269 65.6 74.1-109.5 9.2 93.8 14.9 -7.9 35 39 A V S S- 0 0 16 338,-0.0 2,-0.3 420,-0.0 340,-0.1 -0.767 92.1 -88.8-117.0 164.8 93.8 18.0 -10.1 36 40 A Y - 0 0 48 -2,-0.3 2,-0.4 8,-0.1 -2,-0.1 -0.555 41.7-174.2 -75.2 137.9 92.2 18.8 -13.4 37 41 A K - 0 0 50 -2,-0.3 6,-0.2 6,-0.1 2,-0.0 -0.996 12.5-142.1-132.9 133.0 94.2 17.8 -16.5 38 42 A D > - 0 0 46 4,-3.1 3,-2.7 -2,-0.4 5,-0.0 -0.116 45.4 -70.8 -83.2-170.0 93.2 18.6 -20.1 39 43 A A T 3 S+ 0 0 105 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.742 135.5 47.2 -54.8 -27.2 93.5 16.6 -23.3 40 44 A T T 3 S- 0 0 95 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.285 121.7-103.9 -98.9 7.9 97.3 17.2 -23.3 41 45 A G S < S+ 0 0 42 -3,-2.7 2,-0.2 1,-0.3 -2,-0.1 0.715 81.4 125.6 77.7 22.3 97.7 16.2 -19.6 42 46 A H - 0 0 121 410,-0.0 -4,-3.1 0, 0.0 -1,-0.3 -0.713 63.2-132.4-111.3 162.8 98.1 19.8 -18.5 43 47 A T - 0 0 7 -2,-0.2 410,-0.7 -6,-0.2 411,-0.2 -0.727 37.6-155.1-113.5 79.2 96.4 22.0 -15.9 44 48 A P - 0 0 46 0, 0.0 2,-0.6 0, 0.0 408,-0.1 -0.030 17.1-116.4 -56.3 150.1 95.7 25.2 -17.9 45 49 A I - 0 0 26 406,-0.4 201,-0.1 405,-0.1 202,-0.1 -0.813 42.1-111.4 -87.8 121.2 95.3 28.7 -16.5 46 50 A M > - 0 0 15 -2,-0.6 4,-2.6 199,-0.4 5,-0.2 -0.245 18.2-124.5 -54.9 139.6 91.7 29.8 -17.4 47 51 A R H > S+ 0 0 128 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.887 112.2 50.1 -52.5 -44.4 91.5 32.6 -19.9 48 52 A A H > S+ 0 0 1 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.903 110.0 51.6 -62.8 -41.4 89.4 34.7 -17.6 49 53 A V H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.938 110.0 47.7 -61.5 -47.9 92.0 34.2 -14.8 50 54 A H H X S+ 0 0 64 -4,-2.6 4,-0.9 1,-0.2 -1,-0.2 0.784 112.2 51.4 -64.6 -28.4 94.8 35.2 -17.1 51 55 A A H X S+ 0 0 17 -4,-1.7 4,-2.2 -5,-0.2 -1,-0.2 0.846 108.5 50.9 -76.1 -36.1 92.8 38.3 -18.1 52 56 A A H X S+ 0 0 0 -4,-2.3 4,-3.0 2,-0.2 -2,-0.2 0.923 108.6 50.1 -66.8 -46.4 92.2 39.3 -14.5 53 57 A E H X S+ 0 0 20 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.827 111.0 52.0 -60.1 -33.5 95.8 39.0 -13.5 54 58 A Q H X S+ 0 0 72 -4,-0.9 4,-0.7 -5,-0.2 -2,-0.2 0.931 110.6 45.5 -68.4 -49.0 96.6 41.2 -16.5 55 59 A R H >X S+ 0 0 87 -4,-2.2 3,-1.6 1,-0.2 4,-1.4 0.944 111.9 53.7 -58.2 -49.5 94.0 43.9 -15.5 56 60 A M H 3X S+ 0 0 9 -4,-3.0 4,-2.7 1,-0.3 3,-0.5 0.884 101.1 59.2 -52.5 -44.3 95.3 43.8 -11.9 57 61 A L H 3< S+ 0 0 35 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.705 110.9 43.1 -61.0 -20.4 98.9 44.4 -13.1 58 62 A E H << S+ 0 0 139 -3,-1.6 -1,-0.2 -4,-0.7 -2,-0.2 0.673 122.0 34.3 -99.6 -22.5 97.7 47.7 -14.6 59 63 A T H < S+ 0 0 91 -4,-1.4 2,-0.6 -3,-0.5 -2,-0.2 0.689 85.1 98.5-108.0 -24.2 95.4 49.0 -11.9 60 64 A E < + 0 0 45 -4,-2.7 375,-0.1 -5,-0.2 3,-0.1 -0.582 40.1 173.4 -71.3 114.9 96.9 47.9 -8.5 61 66 A T + 0 0 120 -2,-0.6 374,-0.5 1,-0.1 2,-0.3 0.671 63.0 21.8 -93.6 -20.8 98.8 51.0 -7.3 62 67 A T - 0 0 31 372,-0.1 -1,-0.1 2,-0.1 373,-0.1 -0.931 47.8-155.9-144.5 164.1 99.7 49.6 -3.8 63 68 A K + 0 0 8 370,-0.4 576,-2.4 -2,-0.3 577,-0.2 -0.012 47.8 144.0-127.8 24.7 100.1 46.3 -1.9 64 69 A T - 0 0 24 369,-0.3 575,-0.1 574,-0.2 -2,-0.1 -0.086 66.6 -66.6 -61.1 166.4 99.5 47.8 1.6 65 70 A Y - 0 0 43 573,-0.1 -1,-0.2 1,-0.1 2,-0.1 -0.258 62.6-175.8 -54.7 137.5 97.7 45.8 4.2 66 71 A A - 0 0 19 1,-0.2 2,-0.2 217,-0.2 -1,-0.1 -0.120 42.2 -18.7-114.2-146.7 94.0 45.3 3.1 67 72 A G > - 0 0 20 1,-0.1 3,-0.5 -2,-0.1 -1,-0.2 -0.426 46.6-148.7 -69.4 134.2 91.0 43.8 4.9 68 73 A L T 3 S+ 0 0 41 1,-0.2 -1,-0.1 -2,-0.2 3,-0.1 0.849 102.8 34.0 -67.6 -38.2 91.7 41.4 7.8 69 74 A S T 3 S- 0 0 27 1,-0.5 27,-2.2 213,-0.1 -1,-0.2 0.252 131.1 -87.4-101.4 13.3 88.6 39.3 7.0 70 75 A G < - 0 0 7 -3,-0.5 -1,-0.5 25,-0.2 -2,-0.1 -0.466 55.8 -55.3 106.7 174.1 88.9 39.8 3.3 71 76 A E >> - 0 0 59 -2,-0.2 4,-2.5 1,-0.1 3,-0.9 -0.777 38.2-130.5 -95.3 138.4 87.8 42.4 0.8 72 77 A P H 3> S+ 0 0 90 0, 0.0 4,-3.0 0, 0.0 5,-0.4 0.889 107.6 59.4 -49.0 -51.0 84.0 43.3 0.5 73 78 A E H 3> S+ 0 0 66 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.857 113.0 40.3 -48.3 -40.7 84.1 42.9 -3.3 74 79 A F H <> S+ 0 0 2 -3,-0.9 4,-2.9 2,-0.2 5,-0.3 0.920 112.9 51.4 -76.4 -49.4 85.2 39.3 -2.8 75 80 A Q H X S+ 0 0 32 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.879 114.8 44.5 -57.1 -39.8 82.9 38.5 0.1 76 81 A K H X S+ 0 0 79 -4,-3.0 4,-2.3 -5,-0.2 5,-0.2 0.943 112.9 50.3 -71.0 -47.5 79.9 39.7 -1.8 77 82 A A H X S+ 0 0 8 -4,-1.6 4,-2.1 -5,-0.4 -2,-0.2 0.920 114.2 44.4 -57.8 -46.5 80.9 38.0 -5.0 78 83 A M H X S+ 0 0 3 -4,-2.9 4,-2.4 1,-0.2 5,-0.3 0.943 110.9 53.6 -65.4 -47.1 81.4 34.7 -3.3 79 84 A G H X S+ 0 0 1 -4,-2.1 4,-2.6 -5,-0.3 5,-0.4 0.869 113.2 43.9 -55.3 -38.2 78.2 34.9 -1.3 80 85 A E H X S+ 0 0 97 -4,-2.3 4,-1.5 3,-0.2 -1,-0.2 0.849 109.8 55.2 -76.3 -33.9 76.2 35.6 -4.4 81 86 A L H < S+ 0 0 7 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.907 120.9 31.0 -64.4 -42.6 78.0 32.8 -6.4 82 87 A I H < S+ 0 0 1 -4,-2.4 -2,-0.2 -5,-0.2 144,-0.2 0.945 134.4 25.5 -81.6 -53.7 77.1 30.3 -3.7 83 88 A L H >< S- 0 0 9 -4,-2.6 3,-1.5 -5,-0.3 -3,-0.2 0.654 83.2-172.8 -89.7 -17.3 73.8 31.6 -2.3 84 89 A G G >< - 0 0 18 -4,-1.5 3,-1.4 -5,-0.4 -1,-0.2 -0.332 69.7 -8.4 62.0-137.6 72.4 33.5 -5.3 85 90 A D G 3 S+ 0 0 179 1,-0.3 -1,-0.3 3,-0.0 -2,-0.1 0.760 128.5 71.3 -64.3 -25.2 69.3 35.6 -4.6 86 91 A G G < + 0 0 36 -3,-1.5 2,-0.9 -6,-0.1 -1,-0.3 0.419 63.9 126.7 -74.0 3.3 68.9 33.9 -1.2 87 95 A L < - 0 0 28 -3,-1.4 2,-1.6 1,-0.1 3,-0.1 -0.484 43.1-165.5 -69.4 101.6 71.9 35.8 0.2 88 96 A K >> - 0 0 119 -2,-0.9 3,-2.2 1,-0.2 4,-0.5 -0.629 5.8-175.2 -86.7 79.5 70.6 37.4 3.4 89 97 A S G >4 S+ 0 0 62 -2,-1.6 3,-1.3 1,-0.3 -1,-0.2 0.809 76.6 66.3 -44.1 -40.7 73.6 39.8 3.9 90 98 A E G 34 S+ 0 0 132 1,-0.3 -1,-0.3 -3,-0.1 175,-0.1 0.800 113.6 29.9 -53.7 -34.8 72.1 41.0 7.2 91 99 A T G <4 S+ 0 0 24 -3,-2.2 168,-2.7 174,-0.1 2,-0.5 0.262 100.6 99.4-112.1 11.9 72.7 37.5 8.8 92 100 A T E << -B 258 0B 9 -3,-1.3 2,-0.4 -4,-0.5 166,-0.2 -0.889 48.8-167.2-110.2 121.4 75.7 36.4 6.8 93 101 A A E -B 257 0B 0 164,-2.8 164,-3.2 -2,-0.5 2,-0.3 -0.870 13.2-163.1-100.7 135.2 79.3 36.6 8.2 94 102 A T E -B 256 0B 13 -2,-0.4 2,-0.4 162,-0.2 162,-0.2 -0.915 11.8-173.5-124.1 149.0 82.1 36.1 5.7 95 103 A L E -B 255 0B 0 160,-1.8 160,-2.7 -2,-0.3 2,-0.3 -0.952 20.4-138.2-144.0 119.1 85.8 35.3 6.0 96 104 A A E -B 254 0B 6 -27,-2.2 158,-0.3 -2,-0.4 2,-0.2 -0.604 36.1-172.2 -73.5 134.9 88.4 35.1 3.3 97 105 A T E -B 253 0B 5 156,-2.4 2,-1.6 -2,-0.3 156,-1.2 -0.773 37.9 -95.9-128.9 170.8 90.6 32.1 3.9 98 106 A V E > S-B 252 0B 0 -2,-0.2 4,-1.4 154,-0.2 154,-0.3 -0.689 92.4 -52.7 -85.0 84.4 93.8 30.4 2.7 99 107 A G H > S- 0 0 0 -2,-1.6 4,-2.1 152,-0.9 154,-0.3 0.116 80.9 -62.1 69.8 173.3 92.0 28.0 0.4 100 108 A G H > S+ 0 0 5 152,-0.4 4,-2.9 1,-0.2 -1,-0.2 0.904 136.4 57.5 -59.1 -39.6 89.1 25.7 1.1 101 109 A T H > S+ 0 0 10 569,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.886 105.3 50.4 -59.3 -39.6 91.3 23.8 3.6 102 110 A G H X S+ 0 0 1 -4,-1.4 4,-2.7 568,-0.4 -1,-0.2 0.926 110.1 50.3 -64.1 -42.2 91.8 27.1 5.5 103 111 A A H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.940 111.4 48.6 -60.0 -45.9 88.0 27.7 5.5 104 112 A L H X S+ 0 0 4 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.934 111.4 48.7 -59.8 -50.3 87.5 24.1 6.8 105 113 A R H X S+ 0 0 10 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.947 114.2 45.9 -55.1 -51.6 90.1 24.6 9.6 106 114 A Q H X S+ 0 0 4 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.874 108.9 56.1 -60.5 -40.2 88.6 27.9 10.6 107 115 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.930 109.4 46.2 -58.3 -45.5 85.0 26.5 10.5 108 116 A L H X S+ 0 0 4 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.871 113.0 50.9 -64.2 -38.4 86.1 23.8 13.0 109 117 A E H X S+ 0 0 28 -4,-2.0 4,-1.0 -5,-0.2 -2,-0.2 0.879 110.5 48.2 -65.9 -43.0 87.8 26.4 15.2 110 118 A L H X S+ 0 0 0 -4,-2.7 4,-1.8 2,-0.2 3,-0.5 0.935 112.2 47.5 -62.9 -50.7 84.8 28.7 15.2 111 119 A A H X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.3 -2,-0.2 0.884 109.2 54.0 -60.7 -41.3 82.3 25.9 16.1 112 120 A R H < S+ 0 0 92 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.771 106.6 53.6 -65.7 -26.5 84.6 24.7 18.9 113 121 A M H < S+ 0 0 68 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.2 0.900 110.6 44.9 -72.5 -42.9 84.7 28.2 20.4 114 122 A A H < S+ 0 0 4 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.744 133.0 17.5 -71.3 -25.8 80.9 28.3 20.5 115 123 A N >< - 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