==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 21-SEP-05 2B3U . COMPND 2 MOLECULE: DIAMINE ACETYLTRANSFERASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.C.BEWLEY,V.GRAZIANO,J.S.JIANG,E.MATZ,F.W.STUDIER,A.P.PEGG, . 326 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16121.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 236 72.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 72 22.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 1.2 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 . 14 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 92 28.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.1 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 2 1 0 5 0 0 1 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 0 2 0 2 0 2 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 2 A A 0 0 35 0, 0.0 2,-0.2 0, 0.0 51,-0.0 0.000 360.0 360.0 360.0 161.4 4.2 14.0 -12.9 2 3 A K + 0 0 124 51,-0.0 2,-0.3 2,-0.0 54,-0.1 -0.581 360.0 170.8 -72.2 139.0 4.1 15.8 -9.6 3 4 A F - 0 0 34 -2,-0.2 2,-0.3 49,-0.2 49,-0.2 -0.984 24.2-153.6-150.3 159.8 7.3 15.2 -7.7 4 5 A V E -A 51 0A 55 47,-1.8 47,-2.4 -2,-0.3 2,-0.4 -0.981 12.7-139.4-134.4 146.9 9.2 16.3 -4.7 5 6 A I E +A 50 0A 23 -2,-0.3 45,-0.2 45,-0.2 62,-0.0 -0.908 36.2 151.8-105.8 135.3 12.9 16.3 -3.9 6 7 A R E -A 49 0A 59 43,-2.1 43,-3.1 -2,-0.4 3,-0.1 -0.984 49.2 -83.3-157.6 160.2 14.0 15.3 -0.4 7 8 A P E -A 48 0A 89 0, 0.0 41,-0.3 0, 0.0 2,-0.1 -0.395 51.2-112.8 -65.0 146.6 16.8 13.8 1.5 8 9 A A - 0 0 11 39,-2.9 2,-0.3 -2,-0.1 39,-0.2 -0.431 34.0-156.0 -74.2 153.9 16.8 10.0 1.5 9 10 A T > - 0 0 71 -2,-0.1 3,-2.4 -3,-0.1 4,-0.3 -0.809 36.7 -90.7-124.6 173.7 16.1 8.4 4.8 10 11 A A G > S+ 0 0 44 1,-0.3 3,-1.2 -2,-0.3 29,-0.1 0.823 125.1 62.0 -52.8 -30.7 16.9 4.9 6.2 11 12 A A G 3 S+ 0 0 82 1,-0.2 3,-0.4 2,-0.1 -1,-0.3 0.667 95.2 62.3 -71.1 -14.6 13.6 3.7 4.8 12 13 A D G X> + 0 0 11 -3,-2.4 4,-2.5 1,-0.2 3,-0.6 0.475 69.9 102.5 -89.6 -5.0 14.7 4.5 1.3 13 14 A C H <> S+ 0 0 2 -3,-1.2 4,-2.4 -4,-0.3 5,-0.2 0.856 78.8 52.4 -49.7 -40.4 17.6 2.1 1.1 14 15 A S H 3> S+ 0 0 52 -3,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.906 112.3 46.5 -66.9 -36.3 15.8 -0.5 -1.0 15 16 A D H <> S+ 0 0 22 -3,-0.6 4,-2.5 -4,-0.2 -2,-0.2 0.907 109.3 53.3 -70.8 -39.7 14.9 2.2 -3.5 16 17 A I H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.959 111.3 47.2 -59.0 -46.1 18.4 3.6 -3.6 17 18 A L H X S+ 0 0 23 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.914 110.0 53.0 -61.0 -41.2 19.7 0.2 -4.4 18 19 A R H X S+ 0 0 35 -4,-2.0 4,-1.8 -5,-0.2 -1,-0.2 0.920 112.4 45.0 -58.9 -43.1 17.1 -0.4 -7.0 19 20 A L H X S+ 0 0 0 -4,-2.5 4,-3.1 2,-0.2 -2,-0.2 0.841 110.3 53.2 -69.2 -38.6 18.1 2.9 -8.7 20 21 A I H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.964 111.7 46.2 -61.3 -50.9 21.8 2.2 -8.5 21 22 A K H < S+ 0 0 111 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.875 113.4 49.3 -61.1 -36.2 21.2 -1.2 -10.2 22 23 A E H < S+ 0 0 86 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.928 108.6 52.0 -69.4 -41.8 19.1 0.5 -12.8 23 24 A L H < 0 0 48 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.874 360.0 360.0 -58.7 -35.0 21.7 3.2 -13.3 24 25 A A < 0 0 77 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.979 360.0 360.0 -72.3 360.0 24.0 0.2 -13.8 25 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 26 33 A Q 0 0 193 0, 0.0 2,-0.9 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 108.7 29.3 -5.9 -10.6 27 34 A V + 0 0 31 1,-0.2 217,-0.2 -6,-0.1 216,-0.1 -0.751 360.0 162.7 -84.8 108.5 27.1 -4.0 -8.1 28 35 A I + 0 0 114 215,-2.2 216,-0.2 -2,-0.9 -1,-0.2 0.400 33.8 115.8-108.4 -0.3 27.9 -6.0 -4.9 29 36 A L - 0 0 5 214,-1.2 2,-0.3 213,-0.2 215,-0.1 -0.433 53.1-153.8 -68.3 139.8 26.6 -3.3 -2.6 30 37 A T > - 0 0 64 -2,-0.1 4,-2.0 1,-0.1 3,-0.3 -0.735 29.4-108.6-113.7 168.4 23.6 -4.5 -0.5 31 38 A E H > S+ 0 0 93 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.921 120.8 58.8 -59.4 -41.3 20.7 -2.7 1.1 32 39 A K H > S+ 0 0 138 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.885 104.6 49.8 -55.7 -40.7 22.3 -3.5 4.4 33 40 A D H > S+ 0 0 49 -3,-0.3 4,-3.0 1,-0.2 5,-0.3 0.926 107.9 52.8 -64.2 -45.4 25.4 -1.6 3.4 34 41 A L H X S+ 0 0 0 -4,-2.0 4,-1.7 1,-0.2 5,-0.2 0.898 112.5 45.6 -57.9 -39.0 23.5 1.4 2.3 35 42 A L H X S+ 0 0 82 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.939 116.1 43.7 -71.4 -45.9 21.8 1.5 5.7 36 43 A E H < S+ 0 0 113 -4,-2.4 4,-0.3 -5,-0.2 -2,-0.2 0.873 120.9 40.7 -66.9 -37.5 24.9 1.0 7.7 37 44 A D H < S+ 0 0 6 -4,-3.0 7,-3.2 -5,-0.2 8,-0.4 0.726 121.8 38.1 -85.3 -24.2 27.0 3.4 5.7 38 45 A G H < S+ 0 0 6 -4,-1.7 -2,-0.2 -5,-0.3 -3,-0.2 0.674 118.8 39.1-102.8 -19.1 24.4 6.2 5.2 39 46 A F S < S+ 0 0 77 -4,-1.8 -2,-0.1 -5,-0.2 2,-0.1 0.072 85.9 97.1-126.8 33.3 22.5 6.4 8.4 40 47 A G S S- 0 0 44 -4,-0.3 -3,-0.0 -3,-0.1 -4,-0.0 -0.297 95.7 -79.8-100.5-170.1 24.9 6.0 11.3 41 48 A E S S+ 0 0 176 1,-0.3 -3,-0.0 -2,-0.1 -1,-0.0 0.835 129.1 39.3 -64.4 -29.9 26.5 8.7 13.4 42 49 A H S S- 0 0 130 2,-0.0 -1,-0.3 0, 0.0 2,-0.1 -0.766 83.6-160.2-121.4 85.8 29.0 9.3 10.6 43 50 A P - 0 0 52 0, 0.0 -5,-0.2 0, 0.0 -6,-0.1 -0.399 9.8-157.7 -68.1 136.4 27.4 8.9 7.2 44 51 A F S S+ 0 0 63 -7,-3.2 2,-0.3 -2,-0.1 -6,-0.2 0.495 76.1 17.9 -92.3 -5.4 29.7 8.2 4.3 45 52 A Y - 0 0 2 -8,-0.4 2,-0.3 -11,-0.1 26,-0.2 -0.978 64.8-145.7-156.4 161.1 27.3 9.5 1.6 46 53 A H E - B 0 70A 75 24,-2.8 24,-2.9 -2,-0.3 2,-0.4 -0.960 15.4-159.3-130.5 149.9 24.2 11.6 1.3 47 54 A C E - B 0 69A 8 -2,-0.3 -39,-2.9 22,-0.2 2,-0.4 -0.998 13.0-162.9-135.6 137.3 21.3 11.2 -1.1 48 55 A L E -AB 7 68A 10 20,-2.1 20,-2.0 -2,-0.4 2,-0.3 -0.937 24.2-167.7-109.2 135.4 18.6 13.4 -2.5 49 56 A V E -AB 6 67A 0 -43,-3.1 -43,-2.1 -2,-0.4 2,-0.5 -0.873 19.3-131.6-123.7 162.0 15.7 11.4 -4.0 50 57 A A E -AB 5 66A 0 16,-2.0 15,-2.3 -2,-0.3 16,-0.8 -0.958 25.2-166.9-114.3 125.5 12.7 12.3 -6.2 51 58 A E E -AB 4 64A 64 -47,-2.4 -47,-1.8 -2,-0.5 13,-0.2 -0.949 3.3-165.0-117.9 136.4 9.4 10.9 -5.1 52 59 A V - 0 0 3 11,-2.7 -49,-0.2 -2,-0.4 2,-0.0 -0.868 24.5-108.8-118.5 153.8 6.2 10.8 -7.1 53 60 A P > - 0 0 25 0, 0.0 3,-2.2 0, 0.0 -1,-0.0 -0.272 42.9 -91.8 -74.2 168.2 2.6 10.1 -5.9 54 61 A K G > S+ 0 0 149 1,-0.3 3,-2.4 2,-0.2 7,-0.1 0.811 119.3 67.0 -51.4 -44.1 0.7 6.9 -6.7 55 62 A E G 3 S+ 0 0 136 1,-0.3 -1,-0.3 0, 0.0 -3,-0.0 0.781 114.6 36.3 -52.3 -20.1 -1.0 8.0 -9.9 56 63 A H G < S+ 0 0 81 -3,-2.2 -1,-0.3 -54,-0.1 -2,-0.2 0.210 84.0 136.5-120.3 19.5 2.6 8.0 -11.2 57 64 A W < - 0 0 119 -3,-2.4 6,-0.2 1,-0.1 -3,-0.0 -0.191 63.8 -93.3 -62.0 157.2 4.3 5.1 -9.4 58 65 A T > - 0 0 4 4,-2.6 3,-2.5 1,-0.1 -1,-0.1 -0.181 41.0-100.4 -64.4 165.6 6.6 2.9 -11.6 59 66 A P T 3 S+ 0 0 132 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.869 128.6 57.0 -56.9 -33.5 5.0 -0.2 -13.1 60 67 A E T 3 S- 0 0 106 2,-0.1 -2,-0.1 1,-0.1 -3,-0.0 0.447 125.6-106.6 -75.5 -3.1 6.6 -2.2 -10.3 61 68 A G < + 0 0 35 -3,-2.5 2,-0.3 1,-0.3 -4,-0.1 0.745 69.4 146.6 83.9 26.2 4.7 0.1 -7.9 62 69 A H - 0 0 62 1,-0.1 -4,-2.6 -6,-0.1 -1,-0.3 -0.718 39.1-160.4-101.1 149.3 7.6 2.2 -6.7 63 70 A S + 0 0 26 -2,-0.3 -11,-2.7 -6,-0.2 2,-0.6 0.546 69.5 82.3-100.2 -14.1 7.6 5.9 -5.7 64 71 A I E +B 51 0A 0 -13,-0.2 -13,-0.2 1,-0.1 3,-0.1 -0.846 44.1 163.6 -97.7 123.8 11.3 6.9 -6.0 65 72 A V E + 0 0 0 -15,-2.3 25,-3.3 -2,-0.6 2,-0.3 0.382 58.0 16.1-121.7 6.2 12.3 7.7 -9.5 66 73 A G E -BC 50 89A 0 -16,-0.8 -16,-2.0 23,-0.3 2,-0.3 -0.981 55.4-176.4-170.3 156.6 15.6 9.5 -9.3 67 74 A F E -BC 49 88A 0 21,-2.6 21,-2.8 -2,-0.3 2,-0.4 -0.992 18.5-149.9-155.8 165.3 18.5 10.3 -7.0 68 75 A A E -BC 48 87A 0 -20,-2.0 -20,-2.1 -2,-0.3 2,-0.5 -0.982 17.1-160.4-137.3 123.2 21.8 12.1 -6.6 69 76 A X E +BC 47 86A 0 17,-2.5 16,-1.8 -2,-0.4 17,-1.6 -0.934 26.8 150.3-106.2 129.7 24.4 10.6 -4.3 70 77 A Y E -BC 46 84A 18 -24,-2.9 -24,-2.8 -2,-0.5 2,-0.3 -0.922 22.0-174.6-151.1 173.4 27.1 13.0 -3.0 71 78 A Y E - C 0 83A 13 12,-1.9 12,-3.3 -2,-0.3 2,-0.4 -0.962 33.7 -93.4-164.2 167.8 29.5 13.7 -0.1 72 79 A F E + C 0 82A 51 -2,-0.3 2,-0.2 10,-0.2 10,-0.2 -0.742 39.2 177.0 -99.2 143.0 31.9 16.4 1.0 73 80 A T E - C 0 81A 3 8,-2.3 8,-2.5 -2,-0.4 2,-0.3 -0.735 16.8-132.8-131.2-175.6 35.6 16.3 0.2 74 81 A Y E - C 0 80A 11 -2,-0.2 6,-0.2 6,-0.2 3,-0.0 -0.999 14.3-177.1-148.0 139.0 38.6 18.6 0.7 75 82 A D E >> - C 0 79A 23 4,-1.6 3,-2.1 -2,-0.3 4,-1.3 -0.930 23.5-143.4-141.0 116.9 41.4 19.9 -1.3 76 83 A P T 34 S+ 0 0 6 0, 0.0 120,-1.4 0, 0.0 121,-0.8 0.689 101.9 40.8 -50.1 -25.1 44.1 22.1 0.3 77 84 A W T 34 S+ 0 0 22 118,-0.2 118,-0.1 119,-0.1 -3,-0.0 0.026 124.9 29.9-118.0 32.1 44.4 24.3 -2.9 78 85 A I T <4 S- 0 0 40 -3,-2.1 2,-0.3 1,-0.1 -4,-0.0 0.313 100.9-115.1-141.4 -62.7 40.8 24.6 -3.9 79 86 A G E < -C 75 0A 21 -4,-1.3 -4,-1.6 37,-0.0 2,-0.2 -0.977 53.3 -26.0 150.3-165.3 38.5 24.5 -0.9 80 87 A K E S-C 74 0A 51 34,-0.4 36,-2.8 -2,-0.3 37,-0.7 -0.624 72.0-157.8 -75.4 145.4 35.7 22.4 0.8 81 88 A L E -Cd 73 117A 4 -8,-2.5 -8,-2.3 -2,-0.2 2,-0.5 -0.949 23.5-138.2-131.6 152.6 34.1 20.6 -2.1 82 89 A L E -Cd 72 118A 0 35,-2.0 37,-2.2 -2,-0.3 2,-0.6 -0.940 26.1-155.5-103.0 124.4 30.8 18.9 -2.8 83 90 A Y E -Cd 71 119A 31 -12,-3.3 -12,-1.9 -2,-0.5 2,-0.8 -0.923 3.3-152.6-108.5 120.8 31.5 15.7 -4.7 84 91 A L E +C 70 0A 7 35,-2.7 37,-0.4 -2,-0.6 -14,-0.2 -0.848 16.3 177.6 -94.1 107.3 28.7 14.4 -6.9 85 92 A E E - 0 0 36 -16,-1.8 2,-0.3 -2,-0.8 -15,-0.2 0.889 64.4 -8.9 -78.1 -44.8 29.2 10.6 -7.1 86 93 A D E -C 69 0A 37 -17,-1.6 -17,-2.5 34,-0.0 2,-0.4 -0.989 52.3-170.1-156.1 153.7 26.1 9.7 -9.2 87 94 A F E +C 68 0A 42 -2,-0.3 2,-0.3 -19,-0.2 -19,-0.2 -0.969 19.9 162.5-147.9 120.5 23.0 11.4 -10.6 88 95 A F E -C 67 0A 24 -21,-2.8 -21,-2.6 -2,-0.4 2,-0.4 -0.980 20.1-172.8-150.9 134.5 20.2 9.4 -12.2 89 96 A V E -C 66 0A 13 -2,-0.3 -23,-0.3 -23,-0.3 5,-0.1 -0.996 41.7-105.0-125.0 129.8 16.6 10.0 -13.1 90 97 A X > - 0 0 11 -25,-3.3 3,-3.3 -2,-0.4 4,-0.2 -0.295 33.9-115.2 -55.4 133.9 14.6 7.0 -14.5 91 98 A S G > S+ 0 0 88 1,-0.3 3,-1.4 2,-0.2 -1,-0.1 0.795 113.1 51.1 -37.3 -52.3 14.0 7.3 -18.2 92 99 A D G 3 S+ 0 0 139 1,-0.3 -1,-0.3 3,-0.0 -2,-0.1 0.488 107.2 55.4 -72.0 -1.9 10.3 7.7 -18.0 93 100 A Y G < S+ 0 0 23 -3,-3.3 3,-0.5 -28,-0.2 5,-0.4 0.215 83.5 104.7-114.9 15.6 10.5 10.4 -15.5 94 101 A R < + 0 0 136 -3,-1.4 -4,-0.0 -4,-0.2 -3,-0.0 -0.566 62.9 45.9 -92.5 157.0 12.8 12.8 -17.4 95 102 A G S S+ 0 0 82 -2,-0.2 -1,-0.2 0, 0.0 -3,-0.0 0.447 88.7 87.3 93.6 -0.5 11.5 16.0 -19.0 96 103 A F S S- 0 0 112 -3,-0.5 -2,-0.1 -94,-0.0 -93,-0.1 0.338 108.7 -95.2-110.7 0.6 9.4 17.2 -16.1 97 104 A G S > S+ 0 0 32 -4,-0.0 4,-2.2 3,-0.0 5,-0.2 0.467 85.0 126.2 101.1 2.7 12.1 19.1 -14.2 98 105 A I H > S+ 0 0 2 -5,-0.4 4,-2.3 1,-0.2 5,-0.2 0.934 77.7 44.6 -60.2 -48.8 13.4 16.5 -11.7 99 106 A G H > S+ 0 0 21 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.891 113.0 50.9 -64.3 -39.4 17.0 16.7 -12.7 100 107 A S H > S+ 0 0 78 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.884 111.8 47.4 -66.4 -37.9 17.0 20.5 -12.8 101 108 A E H X S+ 0 0 66 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.885 111.4 51.1 -70.2 -36.6 15.5 20.7 -9.3 102 109 A I H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.951 111.8 46.2 -65.4 -47.8 18.0 18.1 -8.0 103 110 A L H X S+ 0 0 4 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.880 111.8 53.5 -60.8 -36.6 21.0 20.1 -9.5 104 111 A K H X S+ 0 0 72 -4,-1.9 4,-2.0 -5,-0.2 -2,-0.2 0.960 111.4 43.9 -62.3 -49.4 19.4 23.3 -8.0 105 112 A N H X S+ 0 0 31 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.883 110.7 54.7 -65.9 -37.5 19.2 21.8 -4.5 106 113 A L H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.910 109.3 49.7 -60.2 -38.7 22.7 20.3 -4.7 107 114 A S H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.909 109.4 49.5 -67.9 -39.0 23.9 23.8 -5.6 108 115 A Q H X S+ 0 0 73 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.902 109.6 52.7 -65.2 -39.0 22.1 25.4 -2.6 109 116 A V H X S+ 0 0 37 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.934 107.4 51.9 -62.3 -42.2 23.6 22.7 -0.4 110 117 A A H X>S+ 0 0 0 -4,-2.3 5,-2.5 1,-0.2 4,-0.8 0.900 109.1 50.1 -60.4 -40.2 27.0 23.7 -1.7 111 118 A X H ><5S+ 0 0 43 -4,-2.2 3,-0.6 1,-0.2 -1,-0.2 0.909 109.3 51.6 -67.2 -38.1 26.3 27.3 -0.9 112 119 A R H 3<5S+ 0 0 221 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.916 113.3 43.7 -60.6 -45.9 25.2 26.3 2.6 113 120 A C H 3<5S- 0 0 22 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.567 110.0-125.0 -76.0 -8.3 28.5 24.3 3.2 114 121 A R T <<5 + 0 0 209 -4,-0.8 -34,-0.4 -3,-0.6 -3,-0.2 0.844 45.3 176.9 65.6 34.4 30.5 27.2 1.6 115 122 A C < - 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