==== 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 TRANSFERASE 27-SEP-05 2B58 . 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, . 167 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12211.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 111 66.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 25 15.0 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 . 2 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 . 9 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 47 28.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.8 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 0 0 0 0 3 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 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 PARALLEL BRIDGES PER LADDER . 0 0 0 1 0 1 0 0 0 1 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 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 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 4 A F 0 0 106 0, 0.0 2,-0.4 0, 0.0 55,-0.2 0.000 360.0 360.0 360.0 161.4 28.0 60.8 61.1 2 5 A V E -A 55 0A 83 53,-2.4 53,-2.8 2,-0.0 2,-0.5 -0.973 360.0-154.7-123.1 135.0 25.3 59.5 63.4 3 6 A I E +A 54 0A 23 -2,-0.4 51,-0.2 51,-0.2 68,-0.0 -0.964 34.1 153.0-107.1 126.6 21.9 58.2 62.2 4 7 A R E -A 53 0A 52 49,-2.3 49,-2.8 -2,-0.5 -2,-0.0 -0.975 49.8 -85.6-150.9 161.8 19.4 58.5 65.1 5 8 A P E -A 52 0A 93 0, 0.0 47,-0.3 0, 0.0 2,-0.0 -0.411 53.9-110.8 -65.8 146.5 15.7 59.0 65.8 6 9 A A - 0 0 15 45,-2.7 2,-0.3 -2,-0.0 45,-0.1 -0.298 28.9-150.6 -71.5 164.3 14.6 62.6 65.7 7 10 A T > - 0 0 69 -2,-0.0 3,-2.4 1,-0.0 4,-0.3 -0.841 36.5 -94.7-128.7 167.5 13.6 64.4 69.0 8 11 A A G > S+ 0 0 46 1,-0.3 3,-1.5 -2,-0.3 4,-0.2 0.831 123.7 64.2 -54.9 -30.8 11.2 67.3 69.4 9 12 A A G 3 S+ 0 0 84 1,-0.3 3,-0.4 2,-0.1 -1,-0.3 0.680 93.5 61.7 -69.0 -15.5 14.2 69.6 69.2 10 13 A D G <> S+ 0 0 10 -3,-2.4 4,-2.4 1,-0.2 -1,-0.3 0.468 71.6 99.4 -88.0 -3.6 14.9 68.5 65.6 11 14 A C H <> S+ 0 0 0 -3,-1.5 4,-2.4 -4,-0.3 5,-0.2 0.841 79.2 55.7 -52.0 -38.9 11.6 69.8 64.2 12 15 A S H > S+ 0 0 61 -3,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.945 111.7 44.0 -59.4 -48.1 13.2 73.0 63.0 13 16 A D H > S+ 0 0 21 -4,-0.3 4,-2.6 -3,-0.2 -2,-0.2 0.855 109.9 55.6 -66.8 -33.9 15.7 70.9 61.0 14 17 A I H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.928 110.1 45.1 -66.2 -42.4 13.0 68.5 59.8 15 18 A L H X S+ 0 0 22 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.890 111.7 53.1 -66.8 -38.2 11.0 71.3 58.3 16 19 A R H X S+ 0 0 32 -4,-2.1 4,-1.8 -5,-0.2 -2,-0.2 0.947 112.8 44.0 -61.1 -44.8 14.1 72.8 56.8 17 20 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.841 109.5 56.1 -68.6 -36.2 15.0 69.5 55.1 18 21 A I H X S+ 0 0 17 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.902 110.3 46.4 -60.1 -42.4 11.4 69.0 54.0 19 22 A K H X S+ 0 0 70 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.846 108.6 53.7 -69.3 -35.7 11.6 72.3 52.2 20 23 A E H X S+ 0 0 48 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.919 111.2 47.3 -65.3 -42.6 15.0 71.6 50.6 21 24 A L H X S+ 0 0 12 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.912 111.6 50.0 -62.7 -43.2 13.6 68.3 49.2 22 25 A A H <>S+ 0 0 9 -4,-1.9 5,-3.2 1,-0.2 6,-0.3 0.875 112.2 48.4 -62.7 -36.1 10.5 70.3 47.9 23 26 A R H ><5S+ 0 0 175 -4,-2.2 3,-1.9 3,-0.2 -2,-0.2 0.875 105.1 57.1 -70.2 -39.5 12.9 72.8 46.4 24 27 A Y H 3<5S+ 0 0 101 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.850 112.4 44.0 -59.6 -31.7 14.9 70.0 44.8 25 28 A E T 3<5S- 0 0 104 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.327 117.7-117.7 -96.1 10.5 11.6 69.0 43.2 26 29 A Y T < 5S+ 0 0 205 -3,-1.9 -3,-0.2 -5,-0.1 -2,-0.1 0.865 91.1 97.7 55.6 43.6 10.7 72.6 42.3 27 30 A X > < + 0 0 101 -5,-3.2 3,-2.2 -8,-0.2 4,-0.4 -0.028 30.6 136.5-146.8 33.0 7.6 72.7 44.5 28 31 A E G > + 0 0 78 -6,-0.3 3,-1.4 1,-0.3 -5,-0.2 0.775 68.7 63.7 -56.8 -30.7 8.8 74.3 47.7 29 32 A E G 3 S+ 0 0 145 1,-0.3 -1,-0.3 -7,-0.1 -6,-0.0 0.623 87.8 73.7 -70.3 -11.6 5.7 76.5 48.0 30 33 A Q G < S+ 0 0 129 -3,-2.2 2,-0.8 -11,-0.1 -1,-0.3 0.773 74.0 94.7 -70.2 -27.5 3.7 73.3 48.3 31 34 A V < + 0 0 31 -3,-1.4 -1,-0.1 -4,-0.4 -12,-0.0 -0.554 37.6 153.5 -73.0 105.8 5.0 72.9 51.9 32 35 A I + 0 0 144 -2,-0.8 -1,-0.2 2,-0.1 2,-0.1 0.418 35.0 112.2-112.2 -0.3 2.4 74.5 54.2 33 36 A L - 0 0 73 1,-0.1 2,-0.2 -18,-0.1 3,-0.0 -0.474 56.7-145.8 -70.4 145.9 3.2 72.4 57.3 34 37 A T > - 0 0 63 -2,-0.1 4,-2.2 1,-0.1 5,-0.2 -0.597 25.7-107.5-107.8 172.4 4.7 74.5 60.2 35 38 A E H > S+ 0 0 99 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.910 123.7 53.4 -64.9 -41.8 7.3 73.6 62.8 36 39 A K H > S+ 0 0 128 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.880 106.0 54.3 -58.6 -40.9 4.5 73.6 65.4 37 40 A D H > S+ 0 0 47 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.952 109.3 46.4 -57.8 -52.3 2.6 71.1 63.1 38 41 A L H X S+ 0 0 1 -4,-2.2 4,-2.1 1,-0.2 5,-0.3 0.855 112.1 50.9 -58.8 -39.8 5.6 68.7 63.0 39 42 A L H X S+ 0 0 76 -4,-2.2 4,-2.3 2,-0.2 5,-0.3 0.943 115.8 41.8 -63.4 -49.0 6.1 68.9 66.8 40 43 A E H X S+ 0 0 94 -4,-2.4 4,-0.7 1,-0.2 6,-0.3 0.903 121.1 39.9 -64.8 -45.6 2.4 68.2 67.4 41 44 A D H < S+ 0 0 55 -4,-3.2 7,-3.5 -5,-0.2 8,-0.6 0.731 125.3 36.7 -78.1 -24.5 2.1 65.4 64.8 42 45 A G H < S+ 0 0 7 -4,-2.1 -3,-0.2 -5,-0.3 -2,-0.2 0.729 130.0 19.7-102.4 -26.4 5.5 63.9 65.5 43 46 A F H < S+ 0 0 62 -4,-2.3 -3,-0.2 -5,-0.3 -2,-0.1 0.314 93.4 106.0-129.8 10.3 6.1 64.1 69.2 44 47 A G S < S- 0 0 30 -4,-0.7 -3,-0.0 -5,-0.3 -4,-0.0 -0.063 98.9 -75.7 -71.9-171.8 2.7 64.6 70.7 45 48 A E S S+ 0 0 199 1,-0.2 -1,-0.1 2,-0.0 -4,-0.1 0.765 127.2 38.4 -62.6 -25.8 1.2 61.6 72.5 46 49 A H S S- 0 0 117 -6,-0.3 2,-0.4 0, 0.0 -2,-0.2 -0.919 82.2-147.3-128.0 105.7 0.3 59.9 69.1 47 50 A P - 0 0 56 0, 0.0 -5,-0.2 0, 0.0 -6,-0.1 -0.574 10.8-167.9 -76.3 130.3 2.9 60.2 66.4 48 51 A F S S+ 0 0 137 -7,-3.5 2,-0.3 -2,-0.4 -6,-0.2 0.432 78.7 13.9 -92.3 -2.7 1.5 60.3 62.8 49 52 A Y - 0 0 16 -8,-0.6 2,-0.3 -11,-0.1 26,-0.2 -0.958 68.7-141.2-158.1 166.0 5.0 59.9 61.4 50 53 A H E - B 0 74A 67 24,-2.5 24,-2.6 -2,-0.3 2,-0.4 -0.948 18.6-158.7-129.4 153.8 8.5 58.8 62.6 51 54 A C E - B 0 73A 11 -2,-0.3 -45,-2.7 22,-0.2 2,-0.4 -0.993 14.4-163.1-142.0 140.8 11.8 60.3 61.6 52 55 A L E -AB 5 72A 9 20,-2.1 20,-2.0 -2,-0.4 2,-0.3 -0.898 19.5-163.2-112.5 146.7 15.5 59.4 61.5 53 56 A V E -AB 4 71A 0 -49,-2.8 -49,-2.3 -2,-0.4 2,-0.6 -0.942 17.2-132.2-132.3 153.0 18.0 62.2 61.0 54 57 A A E -AB 3 70A 0 16,-2.2 15,-2.6 -2,-0.3 16,-0.8 -0.939 26.3-168.0-105.9 118.5 21.7 62.2 60.0 55 58 A E E -AB 2 68A 66 -53,-2.8 -53,-2.4 -2,-0.6 13,-0.2 -0.907 2.3-159.9-113.7 133.8 23.8 64.4 62.3 56 59 A V - 0 0 12 11,-2.6 5,-0.1 -2,-0.4 6,-0.1 -0.687 34.0 -84.3-106.5 163.2 27.4 65.5 61.6 57 60 A P > - 0 0 76 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 -0.315 41.3-111.7 -63.9 152.1 30.1 66.7 64.0 58 61 A K G > S+ 0 0 149 1,-0.3 3,-2.0 2,-0.2 7,-0.1 0.848 116.8 65.1 -51.3 -39.9 30.1 70.4 64.8 59 62 A E G 3 S+ 0 0 172 1,-0.3 -1,-0.3 0, 0.0 -3,-0.0 0.764 109.5 39.7 -54.6 -29.2 33.4 70.8 62.9 60 63 A H G < S+ 0 0 119 -3,-2.1 -1,-0.3 7,-0.0 -2,-0.2 0.171 82.5 140.2-112.0 20.6 31.4 69.9 59.8 61 64 A W < - 0 0 99 -3,-2.0 6,-0.2 1,-0.1 -3,-0.0 -0.119 62.2 -86.6 -57.5 160.0 28.1 71.7 60.3 62 65 A T > - 0 0 7 4,-2.6 3,-2.6 1,-0.1 -1,-0.1 -0.150 41.9 -99.8 -63.7 164.6 26.5 73.3 57.3 63 66 A P T 3 S+ 0 0 132 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.812 127.6 56.8 -56.3 -29.2 27.4 76.9 56.3 64 67 A E T 3 S- 0 0 132 2,-0.1 -2,-0.1 1,-0.0 -3,-0.0 0.437 123.7-106.4 -80.3 -4.7 24.2 77.8 58.0 65 68 A G S < S+ 0 0 38 -3,-2.6 2,-0.4 1,-0.3 -4,-0.1 0.721 70.8 142.3 87.4 21.8 25.3 76.2 61.2 66 69 A H - 0 0 42 1,-0.1 -4,-2.6 2,-0.1 -1,-0.3 -0.802 39.6-162.5-103.2 140.8 23.1 73.1 61.2 67 70 A S S S+ 0 0 22 -2,-0.4 -11,-2.6 -6,-0.2 2,-0.6 0.655 71.1 83.1 -89.8 -20.2 24.1 69.7 62.4 68 71 A I E +B 55 0A 0 -13,-0.2 -13,-0.2 1,-0.1 3,-0.1 -0.780 44.1 162.7 -93.1 121.8 21.3 67.7 60.6 69 72 A V E + 0 0 0 -15,-2.6 25,-2.7 -2,-0.6 2,-0.3 0.362 59.2 19.3-121.5 4.0 22.1 67.0 57.0 70 73 A G E +BC 54 93A 0 -16,-0.8 -16,-2.2 23,-0.2 2,-0.3 -0.987 56.3 179.2-165.6 164.2 19.7 64.2 56.1 71 74 A F E -BC 53 92A 0 21,-2.4 21,-2.4 -2,-0.3 2,-0.4 -0.994 19.0-148.3-165.9 163.9 16.5 62.5 57.1 72 75 A A E -BC 52 91A 0 -20,-2.0 -20,-2.1 -2,-0.3 2,-0.5 -0.990 14.6-160.3-138.5 132.3 13.9 59.8 56.4 73 76 A X E +BC 51 90A 22 17,-2.6 16,-2.1 -2,-0.4 17,-1.4 -0.976 25.2 155.6-115.3 127.7 10.2 60.3 57.3 74 77 A Y E -BC 50 88A 19 -24,-2.6 -24,-2.5 -2,-0.5 2,-0.3 -0.917 22.0-172.7-146.5 167.4 8.1 57.1 57.5 75 78 A Y E - C 0 87A 74 12,-1.8 12,-2.9 -2,-0.3 2,-0.3 -0.959 33.8-100.2-154.0 166.3 5.0 55.6 59.1 76 79 A F E - C 0 86A 79 -2,-0.3 2,-0.2 10,-0.2 10,-0.2 -0.730 36.6-176.4 -96.5 147.0 3.5 52.1 59.2 77 80 A T E - C 0 85A 47 8,-2.1 8,-2.0 -2,-0.3 2,-0.4 -0.726 16.2-127.4-128.8-177.9 0.7 51.0 56.9 78 81 A Y E - C 0 84A 172 -2,-0.2 6,-0.2 6,-0.2 8,-0.0 -0.995 8.2-162.0-140.2 139.7 -1.4 47.9 56.5 79 82 A D E > - C 0 83A 44 4,-1.9 4,-3.5 -2,-0.4 3,-0.5 -0.990 20.2-142.1-119.7 121.0 -2.2 45.5 53.7 80 83 A P T 4 S+ 0 0 110 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.625 99.9 49.0 -57.9 -15.4 -5.3 43.3 54.4 81 84 A W T 4 S+ 0 0 233 2,-0.1 -3,-0.0 1,-0.0 0, 0.0 0.817 130.0 11.2 -94.6 -33.6 -3.7 40.4 52.6 82 85 A I T 4 S- 0 0 99 -3,-0.5 2,-0.3 1,-0.3 38,-0.1 0.495 94.0-138.2-122.1 -12.4 -0.2 40.4 54.2 83 86 A G E < +C 79 0A 11 -4,-3.5 -4,-1.9 36,-0.1 -1,-0.3 -0.673 58.9 36.8 97.2-145.5 -0.2 42.7 57.2 84 87 A K E +C 78 0A 71 -2,-0.3 36,-2.0 34,-0.2 37,-0.6 -0.160 55.5 178.3 -59.3 134.7 2.3 45.3 58.4 85 88 A L E -Cd 77 121A 6 -8,-2.0 -8,-2.1 34,-0.2 2,-0.6 -0.952 26.4-135.1-133.3 151.6 4.3 47.5 56.0 86 89 A L E -Cd 76 122A 0 35,-2.2 37,-2.3 -2,-0.3 2,-0.7 -0.944 23.5-158.1-108.6 120.9 6.9 50.2 56.6 87 90 A Y E -Cd 75 123A 44 -12,-2.9 -12,-1.8 -2,-0.6 2,-0.8 -0.884 4.3-153.2-107.9 118.5 6.1 53.1 54.2 88 91 A L E +Cd 74 124A 4 35,-2.4 37,-0.5 -2,-0.7 -14,-0.2 -0.780 20.0 171.7 -93.9 112.8 9.0 55.4 53.5 89 92 A E E + 0 0 91 -16,-2.1 2,-0.3 -2,-0.8 -15,-0.2 0.889 62.3 15.6 -88.0 -48.7 7.5 58.8 52.6 90 93 A D E +C 73 0A 36 -17,-1.4 -17,-2.6 2,-0.0 2,-0.3 -0.984 58.3 173.1-130.6 143.0 10.5 61.3 52.4 91 94 A F E +C 72 0A 40 -2,-0.3 2,-0.3 -19,-0.2 -19,-0.2 -0.910 16.6 152.1-153.3 118.8 14.1 60.5 52.1 92 95 A F E -C 71 0A 16 -21,-2.4 -21,-2.4 -2,-0.3 2,-0.4 -0.988 25.1-170.0-157.9 136.9 16.7 63.2 51.5 93 96 A V E -C 70 0A 16 -2,-0.3 -23,-0.2 -23,-0.2 5,-0.1 -0.994 41.4-103.3-125.7 136.3 20.4 64.1 52.1 94 97 A X > - 0 0 25 -25,-2.7 3,-2.3 -2,-0.4 4,-0.4 -0.246 34.3-112.3 -58.7 145.5 21.7 67.6 51.5 95 98 A S G > S+ 0 0 82 1,-0.3 3,-1.7 2,-0.2 -1,-0.1 0.890 115.1 51.0 -45.8 -57.4 23.8 67.9 48.2 96 99 A D G 3 S+ 0 0 128 1,-0.3 -1,-0.3 3,-0.0 -2,-0.1 0.554 112.4 50.0 -62.2 -7.2 27.1 68.6 49.9 97 100 A Y G < S+ 0 0 29 -3,-2.3 3,-0.5 -28,-0.1 5,-0.4 0.386 85.9 108.2-115.6 7.3 26.6 65.5 52.1 98 101 A R < + 0 0 96 -3,-1.7 -4,-0.0 -4,-0.4 -3,-0.0 -0.364 67.1 34.8 -81.4 160.1 25.7 62.8 49.5 99 102 A G S S+ 0 0 85 -2,-0.1 -1,-0.2 1,-0.1 -4,-0.0 0.662 88.3 100.7 70.6 16.8 27.8 59.9 48.4 100 103 A F S S- 0 0 143 -3,-0.5 -2,-0.1 0, 0.0 -1,-0.1 0.405 103.2 -97.7-107.9 -6.1 29.3 59.5 51.9 101 104 A G S > S+ 0 0 31 -4,-0.0 4,-2.0 3,-0.0 5,-0.2 0.447 89.7 121.0 101.4 1.9 27.2 56.6 52.9 102 105 A I H > S+ 0 0 4 -5,-0.4 4,-2.3 2,-0.2 5,-0.2 0.959 77.2 45.6 -64.9 -48.5 24.6 58.6 54.9 103 106 A G H > S+ 0 0 14 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.893 111.7 53.1 -63.0 -39.2 21.6 57.4 52.8 104 107 A S H > S+ 0 0 41 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.911 110.8 46.6 -62.0 -40.3 22.8 53.8 52.9 105 108 A E H X S+ 0 0 78 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.854 109.5 53.4 -72.1 -34.9 23.0 53.9 56.7 106 109 A I H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.935 109.9 48.6 -62.4 -43.6 19.6 55.5 57.0 107 110 A L H X S+ 0 0 17 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.840 109.5 52.5 -64.6 -33.4 18.1 52.7 54.9 108 111 A K H X S+ 0 0 116 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.900 110.6 48.4 -65.8 -42.9 19.9 50.1 57.0 109 112 A N H X S+ 0 0 34 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.890 110.4 50.0 -64.5 -41.1 18.4 51.7 60.1 110 113 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.892 108.1 54.9 -62.6 -38.7 14.9 51.7 58.5 111 114 A S H X S+ 0 0 55 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.855 107.2 49.4 -62.5 -39.0 15.4 48.0 57.6 112 115 A Q H X S+ 0 0 109 -4,-1.6 4,-2.8 2,-0.2 -1,-0.2 0.882 110.2 50.7 -67.1 -40.9 16.1 47.2 61.3 113 116 A V H X S+ 0 0 16 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.913 110.2 51.3 -61.0 -46.1 12.9 49.1 62.3 114 117 A A H <>S+ 0 0 7 -4,-2.7 5,-3.2 1,-0.2 4,-0.3 0.926 113.8 43.1 -58.1 -45.8 11.0 47.1 59.7 115 118 A X H ><5S+ 0 0 125 -4,-2.3 3,-1.0 3,-0.2 -2,-0.2 0.908 111.5 53.3 -69.7 -38.4 12.3 43.8 61.0 116 119 A R H 3<5S+ 0 0 183 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.902 114.1 43.5 -60.3 -40.0 11.8 44.8 64.7 117 120 A C T 3<5S- 0 0 31 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.452 112.9-123.0 -82.4 -3.0 8.2 45.7 63.8 118 121 A R T < 5 + 0 0 178 -3,-1.0 2,-0.3 -4,-0.3 -34,-0.2 0.874 49.9 166.1 59.3 42.7 7.8 42.4 61.8 119 122 A C < - 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