==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 30-AUG-13 4MI4 . COMPND 2 MOLECULE: SPERMIDINE N1-ACETYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO CHOLERAE O1 BIOVAR EL TOR; . AUTHOR E.V.FILIPPOVA,G.MINASOV,L.SHUVALOVA,O.KIRYUKHINA,M.L.KUHN, . 508 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25911.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 373 73.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 126 24.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.6 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 . 26 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 64 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 122 24.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 3.0 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 3 1 0 3 3 3 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 3 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 . 1 0 0 2 1 3 6 3 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 . 0 0 0 0 0 1 0 0 0 0 0 0 1 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 N > 0 0 136 0, 0.0 3,-1.4 0, 0.0 95,-0.0 0.000 360.0 360.0 360.0-176.1 28.9 -59.7 -41.1 2 3 A S T 3 + 0 0 107 1,-0.2 0, 0.0 59,-0.0 0, 0.0 0.525 360.0 79.7 -62.1 -11.2 28.6 -63.4 -40.2 3 4 A Q T 3 S+ 0 0 112 2,-0.0 -1,-0.2 60,-0.0 2,-0.1 0.845 76.9 87.8 -66.1 -34.1 30.5 -62.7 -37.0 4 5 A L < - 0 0 2 -3,-1.4 2,-0.3 57,-0.1 57,-0.2 -0.417 58.8-171.4 -74.1 142.8 27.4 -61.3 -35.3 5 6 A T E -A 60 0A 60 55,-2.4 55,-2.2 -2,-0.1 2,-0.4 -0.952 16.2-146.5-132.8 144.3 24.9 -63.6 -33.5 6 7 A L E +A 59 0A 36 -2,-0.3 2,-0.3 53,-0.2 53,-0.2 -0.951 28.5 164.5-103.8 137.2 21.5 -63.1 -31.9 7 8 A R E -A 58 0A 67 51,-1.9 51,-2.4 -2,-0.4 3,-0.1 -0.969 42.5 -76.0-146.3 162.8 20.7 -65.1 -28.8 8 9 A A E -A 57 0A 54 -2,-0.3 49,-0.2 49,-0.2 2,-0.1 -0.229 52.2-104.6 -60.0 141.5 18.1 -65.1 -26.1 9 10 A L - 0 0 11 47,-2.2 2,-0.3 2,-0.0 -1,-0.1 -0.444 43.7-165.2 -60.3 136.7 18.4 -62.4 -23.4 10 11 A E > - 0 0 102 -2,-0.1 3,-2.0 -3,-0.1 4,-0.3 -0.850 34.1-107.1-125.2 164.0 19.7 -64.0 -20.2 11 12 A R G > S+ 0 0 107 1,-0.3 3,-1.6 -2,-0.3 4,-0.3 0.871 118.0 60.2 -60.4 -34.7 19.9 -62.9 -16.5 12 13 A G G 3 S+ 0 0 77 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.577 98.8 58.7 -72.4 -5.0 23.7 -62.3 -16.8 13 14 A D G X> S+ 0 0 15 -3,-2.0 4,-1.9 1,-0.1 3,-0.5 0.457 78.7 93.9 -95.7 -5.7 23.1 -59.8 -19.6 14 15 A L H <> S+ 0 0 0 -3,-1.6 4,-3.3 -4,-0.3 5,-0.2 0.825 76.3 58.5 -65.1 -29.7 20.9 -57.5 -17.4 15 16 A R H 3> S+ 0 0 162 -4,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.890 108.9 48.0 -63.9 -38.4 23.7 -55.2 -16.3 16 17 A F H <> S+ 0 0 32 -3,-0.5 4,-1.8 2,-0.2 -2,-0.2 0.931 113.2 46.5 -63.5 -44.9 24.3 -54.4 -20.0 17 18 A I H X S+ 0 0 0 -4,-1.9 4,-3.2 2,-0.2 -2,-0.2 0.921 108.9 56.1 -64.4 -41.6 20.5 -53.8 -20.5 18 19 A H H X S+ 0 0 50 -4,-3.3 4,-1.1 1,-0.2 -1,-0.2 0.904 105.9 52.8 -56.7 -42.0 20.4 -51.6 -17.3 19 20 A N H >< S+ 0 0 97 -4,-1.7 3,-0.6 1,-0.2 -1,-0.2 0.952 112.5 42.2 -61.5 -48.4 23.1 -49.4 -18.8 20 21 A L H >< S+ 0 0 1 -4,-1.8 3,-1.5 1,-0.2 7,-0.3 0.901 111.6 55.9 -66.1 -40.5 21.2 -48.9 -22.1 21 22 A N H 3< S+ 0 0 20 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.663 108.8 46.7 -70.8 -15.7 17.9 -48.4 -20.2 22 23 A N T << S+ 0 0 61 -4,-1.1 2,-0.7 -3,-0.6 -1,-0.3 0.288 89.4 100.8-105.6 11.9 19.3 -45.6 -18.1 23 24 A N X> - 0 0 46 -3,-1.5 4,-2.9 -4,-0.2 3,-0.8 -0.837 59.5-157.0-103.2 111.3 20.9 -43.8 -21.1 24 25 A R H 3> S+ 0 0 150 -2,-0.7 4,-1.7 1,-0.2 -1,-0.2 0.863 92.1 50.5 -53.0 -41.7 18.9 -40.9 -22.3 25 26 A N H 34 S+ 0 0 117 2,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.797 114.1 43.5 -73.6 -23.6 20.4 -40.8 -25.7 26 27 A I H X4 S+ 0 0 4 -3,-0.8 3,-1.6 -6,-0.2 4,-0.3 0.916 114.1 49.8 -84.3 -42.2 19.8 -44.6 -26.3 27 28 A M H ><>S+ 0 0 3 -4,-2.9 3,-1.8 -7,-0.3 5,-1.6 0.806 96.4 70.9 -70.0 -26.4 16.2 -44.6 -24.8 28 29 A S G ><5S+ 0 0 40 -4,-1.7 3,-0.9 -5,-0.3 -1,-0.3 0.789 90.5 60.7 -57.9 -31.8 15.2 -41.6 -27.0 29 30 A Y G < 5S+ 0 0 125 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.660 110.0 41.8 -69.4 -19.2 15.3 -43.9 -30.0 30 31 A W G < 5S- 0 0 24 -3,-1.8 -1,-0.2 -4,-0.3 -2,-0.2 0.268 109.3-119.9-106.9 8.0 12.6 -46.0 -28.4 31 32 A F T < 5 + 0 0 22 -3,-0.9 2,-0.3 -4,-0.3 -3,-0.2 0.931 69.9 134.2 57.2 40.0 10.5 -43.2 -27.1 32 33 A E < - 0 0 101 -5,-1.6 -1,-0.2 -8,-0.1 -2,-0.2 -0.905 64.4-100.9-126.4 155.4 11.0 -44.5 -23.5 33 34 A E - 0 0 119 -2,-0.3 2,-1.8 2,-0.1 -9,-0.0 -0.627 30.3-133.8 -71.8 128.4 11.8 -42.9 -20.2 34 35 A P S S+ 0 0 50 0, 0.0 2,-0.3 0, 0.0 -10,-0.2 -0.424 73.1 97.2 -84.8 59.6 15.5 -43.4 -19.4 35 36 A Y + 0 0 160 -2,-1.8 2,-0.2 -14,-0.2 -13,-0.1 -0.913 34.3 141.7-146.5 121.0 15.0 -44.4 -15.7 36 37 A E - 0 0 27 -2,-0.3 -15,-0.1 -18,-0.1 -14,-0.0 -0.742 37.0-140.6-162.3 110.8 14.9 -48.0 -14.5 37 38 A S > - 0 0 50 -2,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.303 32.2-112.8 -61.1 156.4 16.4 -49.4 -11.2 38 39 A F H > S+ 0 0 30 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.876 118.8 56.5 -61.6 -31.3 18.1 -52.8 -11.6 39 40 A D H > S+ 0 0 101 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.892 105.5 47.9 -70.9 -38.3 15.3 -54.1 -9.4 40 41 A E H > S+ 0 0 95 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.939 114.9 47.7 -64.9 -48.4 12.6 -52.9 -11.7 41 42 A L H X S+ 0 0 4 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.936 115.4 44.1 -54.7 -52.5 14.4 -54.4 -14.7 42 43 A E H X S+ 0 0 50 -4,-3.0 4,-2.9 2,-0.2 -1,-0.2 0.901 113.1 49.7 -64.1 -42.0 15.1 -57.7 -13.0 43 44 A E H X S+ 0 0 136 -4,-2.6 4,-2.4 -5,-0.2 -1,-0.2 0.906 112.8 47.1 -69.4 -32.5 11.6 -58.1 -11.6 44 45 A L H X S+ 0 0 69 -4,-2.2 4,-1.8 -5,-0.2 -1,-0.2 0.895 110.1 53.6 -73.6 -36.9 10.0 -57.3 -14.9 45 46 A Y H < S+ 0 0 37 -4,-2.3 4,-0.4 -5,-0.2 3,-0.3 0.949 110.8 47.6 -57.7 -46.8 12.4 -59.8 -16.6 46 47 A N H >< S+ 0 0 66 -4,-2.9 3,-1.5 1,-0.2 4,-0.3 0.944 109.1 53.7 -59.2 -46.1 11.2 -62.4 -14.0 47 48 A K H 3< S+ 0 0 157 -4,-2.4 3,-0.3 1,-0.2 -1,-0.2 0.842 113.2 42.2 -56.8 -38.1 7.6 -61.5 -14.7 48 49 A H T >< S+ 0 0 58 -4,-1.8 3,-1.5 -3,-0.3 -1,-0.2 0.275 75.8 112.1 -99.6 11.6 7.9 -62.1 -18.5 49 50 A I T < S+ 0 0 87 -3,-1.5 -1,-0.2 -4,-0.4 -2,-0.1 0.882 92.6 29.8 -51.2 -44.5 10.1 -65.3 -18.5 50 51 A H T 3 S+ 0 0 174 -3,-0.3 2,-0.5 -4,-0.3 -1,-0.3 0.290 85.9 127.6-102.9 14.3 7.1 -67.3 -19.9 51 52 A D X - 0 0 57 -3,-1.5 3,-0.9 1,-0.1 -3,-0.1 -0.546 40.7-166.5 -75.4 115.6 5.5 -64.5 -21.9 52 53 A N T 3 S+ 0 0 116 -2,-0.5 -1,-0.1 1,-0.2 -3,-0.0 0.563 75.0 78.7 -80.1 -7.8 5.0 -65.9 -25.4 53 54 A A T 3 S+ 0 0 35 21,-0.1 22,-2.9 29,-0.0 2,-0.3 0.375 94.8 45.4 -82.0 -0.6 4.2 -62.4 -26.9 54 55 A E < - 0 0 43 -3,-0.9 2,-0.4 19,-0.2 19,-0.2 -0.979 54.6-163.3-141.6 155.6 7.8 -61.2 -26.9 55 56 A R E - B 0 72A 65 17,-2.6 17,-2.6 -2,-0.3 2,-0.5 -0.937 15.6-166.1-135.4 116.6 11.3 -62.4 -28.0 56 57 A R E - B 0 71A 49 -2,-0.4 -47,-2.2 15,-0.2 2,-0.4 -0.890 9.1-172.4-107.3 126.2 14.2 -60.4 -26.6 57 58 A F E -AB 8 70A 14 13,-3.2 13,-2.7 -2,-0.5 2,-0.4 -0.945 17.9-148.9-124.5 150.6 17.7 -60.9 -28.0 58 59 A V E -AB 7 69A 0 -51,-2.4 -51,-1.9 -2,-0.4 2,-0.5 -0.841 20.0-137.7-109.2 141.6 21.2 -59.8 -27.2 59 60 A V E +AB 6 68A 0 9,-2.5 8,-3.0 -2,-0.4 9,-0.9 -0.897 24.6 177.6-105.5 132.8 23.7 -59.2 -30.0 60 61 A E E -AB 5 66A 19 -55,-2.2 -55,-2.4 -2,-0.5 6,-0.2 -0.935 19.1-140.0-130.2 150.8 27.2 -60.5 -29.7 61 62 A D > - 0 0 23 4,-1.5 3,-2.1 -2,-0.3 -57,-0.1 -0.399 47.2 -82.0 -94.6-175.2 30.3 -60.5 -32.0 62 63 A A T 3 S+ 0 0 49 1,-0.3 -58,-0.0 -2,-0.1 -1,-0.0 0.855 132.8 47.7 -58.2 -37.3 32.8 -63.3 -32.4 63 64 A Q T 3 S- 0 0 135 2,-0.0 -1,-0.3 1,-0.0 -60,-0.0 0.257 119.5-111.6 -85.6 7.2 34.7 -62.2 -29.2 64 65 A K < + 0 0 139 -3,-2.1 2,-0.2 1,-0.2 -2,-0.1 0.743 60.2 157.3 69.8 27.2 31.4 -62.0 -27.3 65 66 A N - 0 0 81 1,-0.1 -4,-1.5 2,-0.0 2,-0.7 -0.628 51.2-112.8 -72.9 143.7 31.4 -58.2 -26.9 66 67 A L E +B 60 0A 45 -2,-0.2 -6,-0.2 -6,-0.2 3,-0.1 -0.758 40.5 176.1 -83.2 122.2 27.8 -57.2 -26.3 67 68 A I E - 0 0 0 -8,-3.0 22,-2.2 -2,-0.7 2,-0.3 0.793 48.0 -60.7 -95.5 -36.5 26.8 -55.2 -29.4 68 69 A G E -BC 59 88A 0 -9,-0.9 -9,-2.5 20,-0.2 2,-0.3 -0.975 49.3 -80.3 171.1-168.1 23.2 -54.4 -28.8 69 70 A L E -BC 58 87A 0 18,-2.5 18,-2.3 -2,-0.3 2,-0.4 -0.971 22.7-171.3-134.1 139.6 19.6 -55.6 -28.4 70 71 A V E -BC 57 86A 0 -13,-2.7 -13,-3.2 -2,-0.3 2,-0.4 -0.999 13.1-178.0-129.0 134.8 16.9 -56.8 -30.8 71 72 A E E -BC 56 85A 11 14,-2.9 14,-2.2 -2,-0.4 2,-0.5 -0.992 21.6-160.4-135.6 142.6 13.4 -57.4 -29.6 72 73 A L E +BC 55 84A 0 -17,-2.6 -17,-2.6 -2,-0.4 2,-0.3 -0.997 32.2 175.2-112.7 118.8 10.1 -58.6 -31.3 73 74 A I E + C 0 83A 29 10,-2.7 10,-2.7 -2,-0.5 -19,-0.2 -0.798 48.8 30.8-124.2 166.0 7.2 -57.5 -29.1 74 75 A E E S- 0 0 113 -2,-0.3 2,-0.3 -21,-0.2 -20,-0.2 0.868 73.7-173.2 55.8 42.1 3.4 -57.5 -29.2 75 76 A I E - 0 0 33 -22,-2.9 2,-0.5 -3,-0.2 7,-0.2 -0.497 10.3-149.0 -71.1 123.8 3.6 -60.8 -31.1 76 77 A N E >> - C 0 81A 49 5,-2.2 4,-1.4 -2,-0.3 5,-0.6 -0.937 12.4-151.1-113.1 130.2 -0.0 -61.6 -32.1 77 78 A Y T 45S+ 0 0 174 -2,-0.5 -1,-0.1 2,-0.2 -2,-0.0 0.407 93.9 28.2 -66.2 -19.9 -1.3 -65.3 -32.5 78 79 A I T 45S+ 0 0 52 3,-0.1 -1,-0.2 409,-0.0 -2,-0.0 0.739 123.3 43.5-118.5 -54.9 -4.0 -64.6 -35.1 79 80 A H T 45S- 0 0 18 2,-0.1 -2,-0.2 407,-0.1 37,-0.1 0.632 93.9-139.7 -75.7 -15.6 -2.8 -61.6 -37.0 80 81 A R T <5 + 0 0 64 -4,-1.4 36,-2.9 1,-0.2 37,-1.9 0.832 55.4 129.1 58.6 45.6 0.7 -62.9 -37.2 81 82 A S E < +Cd 76 117A 6 -5,-0.6 -5,-2.2 35,-0.2 2,-0.3 -0.828 31.8 177.6-125.2 155.9 2.4 -59.6 -36.6 82 83 A A E - d 0 118A 0 35,-1.5 37,-2.0 -2,-0.3 2,-0.4 -0.978 30.0-114.9-155.1 157.1 5.0 -58.1 -34.3 83 84 A E E -Cd 73 119A 31 -10,-2.7 -10,-2.7 -2,-0.3 2,-0.4 -0.841 28.2-149.5 -95.6 129.5 6.8 -54.9 -33.6 84 85 A F E +C 72 0A 3 35,-2.7 37,-0.4 -2,-0.4 2,-0.3 -0.874 19.5 174.4 -95.9 130.2 10.6 -54.9 -34.2 85 86 A Q E -C 71 0A 20 -14,-2.2 -14,-2.9 -2,-0.4 2,-0.3 -0.995 5.9-171.3-139.3 146.3 12.9 -52.7 -32.2 86 87 A I E -C 70 0A 25 -2,-0.3 2,-0.4 -16,-0.2 -16,-0.2 -0.989 12.3-169.6-136.5 147.7 16.7 -52.4 -32.1 87 88 A I E -C 69 0A 8 -18,-2.3 -18,-2.5 -2,-0.3 2,-0.5 -0.995 5.2-165.9-134.8 124.4 19.4 -50.7 -30.0 88 89 A I E -C 68 0A 25 -2,-0.4 -20,-0.2 -20,-0.2 5,-0.1 -0.961 34.9-113.3-103.9 124.6 23.1 -50.6 -31.1 89 90 A A >> - 0 0 1 -22,-2.2 3,-2.4 -2,-0.5 4,-0.6 -0.213 29.8-108.3 -56.5 147.1 25.3 -49.6 -28.2 90 91 A P G >4 S+ 0 0 60 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.841 115.7 54.8 -48.6 -42.6 27.0 -46.2 -28.7 91 92 A E G 34 S+ 0 0 120 1,-0.3 -2,-0.1 3,-0.0 -24,-0.0 0.637 111.5 44.6 -72.0 -8.4 30.5 -47.6 -29.2 92 93 A H G X4 S+ 0 0 22 -3,-2.4 3,-1.1 -25,-0.2 5,-0.4 0.374 82.7 118.6-115.3 -0.4 29.3 -49.8 -32.0 93 94 A Q T << S+ 0 0 93 -3,-1.2 -4,-0.0 -4,-0.6 0, 0.0 -0.403 75.9 23.5 -64.4 141.3 27.1 -47.3 -33.9 94 95 A G T 3 S+ 0 0 86 -2,-0.1 -1,-0.2 1,-0.1 -3,-0.0 0.494 87.6 110.1 83.7 8.7 28.3 -46.6 -37.4 95 96 A K S < S- 0 0 118 -3,-1.1 -2,-0.1 0, 0.0 -1,-0.1 0.568 92.6-103.6 -92.9 -11.3 30.2 -49.8 -37.9 96 97 A G S S+ 0 0 57 -4,-0.2 4,-0.5 -95,-0.0 3,-0.1 0.598 87.4 118.0 96.3 17.3 27.9 -51.4 -40.4 97 98 A F > + 0 0 42 -5,-0.4 4,-2.3 1,-0.1 5,-0.2 0.733 55.8 77.2 -83.1 -26.3 26.2 -53.9 -38.1 98 99 A A H > S+ 0 0 26 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.873 91.2 48.8 -56.5 -45.4 22.7 -52.5 -38.4 99 100 A R H > S+ 0 0 116 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.917 113.3 49.4 -63.3 -43.2 21.7 -53.9 -41.8 100 101 A T H > S+ 0 0 35 -4,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.914 111.8 47.8 -58.5 -47.3 22.9 -57.4 -40.7 101 102 A L H X S+ 0 0 1 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.862 109.4 52.3 -67.0 -36.5 21.0 -57.2 -37.5 102 103 A I H X S+ 0 0 6 -4,-2.4 4,-2.4 -5,-0.2 5,-0.2 0.950 110.8 48.6 -63.8 -41.4 17.8 -56.1 -39.2 103 104 A N H X S+ 0 0 60 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.895 109.4 52.9 -68.2 -39.4 18.1 -59.0 -41.6 104 105 A R H X S+ 0 0 65 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.882 109.4 49.2 -60.1 -41.5 18.7 -61.4 -38.7 105 106 A A H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.901 112.4 47.3 -64.9 -41.2 15.5 -60.2 -37.0 106 107 A L H X S+ 0 0 3 -4,-2.4 4,-2.5 2,-0.2 5,-0.3 0.866 109.8 52.8 -68.6 -40.3 13.5 -60.6 -40.1 107 108 A D H X>S+ 0 0 61 -4,-2.5 4,-2.9 -5,-0.2 5,-0.5 0.937 111.1 47.2 -58.1 -42.9 14.9 -64.1 -40.7 108 109 A Y H X>S+ 0 0 63 -4,-2.1 5,-2.3 3,-0.2 4,-1.3 0.937 115.1 47.1 -64.7 -45.0 13.9 -65.1 -37.2 109 110 A S H <5S+ 0 0 0 -4,-2.3 6,-2.6 3,-0.2 -2,-0.2 0.910 124.7 28.8 -63.3 -37.9 10.4 -63.5 -37.7 110 111 A F H <5S+ 0 0 5 -4,-2.5 -2,-0.2 4,-0.2 -1,-0.2 0.718 126.5 37.1-102.1 -26.7 9.7 -65.1 -41.0 111 112 A T H <5S+ 0 0 75 -4,-2.9 -3,-0.2 -5,-0.3 -2,-0.2 0.587 131.9 20.1-104.5 -17.9 11.6 -68.3 -41.1 112 113 A I T < - 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