==== 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-OCT-04 1XV5 . COMPND 2 MOLECULE: DNA ALPHA-GLUCOSYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR L.LARIVIERE,N.SOMMER,S.MORERA . 401 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17402.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 281 70.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 64 16.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 32 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 118 29.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.2 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 1 1 1 3 2 1 0 2 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 4 5 2 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 PARALLEL BRIDGES PER LADDER . 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 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 1000 A S 0 0 120 0, 0.0 2,-0.3 0, 0.0 32,-0.1 0.000 360.0 360.0 360.0 139.6 7.3 54.5 6.0 2 1001 A M - 0 0 50 32,-0.0 32,-2.2 76,-0.0 2,-0.6 -0.832 360.0-108.1-130.2 168.2 8.0 51.0 4.6 3 1002 A R E -a 34 0A 82 -2,-0.3 74,-3.3 30,-0.2 75,-1.8 -0.862 36.8-167.2 -98.1 124.1 6.2 47.9 3.5 4 1003 A I E -ab 35 78A 2 30,-3.5 32,-2.0 -2,-0.6 2,-0.5 -0.923 11.5-163.9-116.5 137.5 6.6 45.0 6.0 5 1004 A C E -ab 36 79A 0 73,-2.4 75,-3.1 -2,-0.4 2,-0.7 -0.970 6.3-160.5-121.2 115.4 5.7 41.4 5.5 6 1005 A I E -ab 37 80A 0 30,-2.8 32,-3.1 -2,-0.5 2,-0.5 -0.868 15.0-167.2 -97.6 117.8 5.5 39.2 8.6 7 1006 A F E -ab 38 81A 4 73,-3.5 75,-2.2 -2,-0.7 76,-0.8 -0.923 20.8-173.9-116.3 121.9 5.8 35.6 7.7 8 1007 A M E > +ab 39 83A 0 30,-2.6 32,-2.2 -2,-0.5 3,-1.0 -0.812 9.2 176.4-110.4 86.9 5.0 32.5 9.8 9 1008 A A T 3 S+ 0 0 3 74,-1.8 75,-0.2 -2,-0.7 77,-0.2 0.578 76.9 60.8 -68.4 -10.7 6.2 29.6 7.7 10 1009 A R T 3 S- 0 0 42 1,-0.4 76,-0.3 75,-0.2 -1,-0.2 0.755 116.5-108.8 -85.5 -24.8 5.4 27.1 10.4 11 1010 A G < - 0 0 3 -3,-1.0 2,-1.0 27,-0.1 -1,-0.4 -0.622 44.2 -55.7 120.1 177.6 1.8 28.1 10.3 12 1011 A L + 0 0 3 28,-0.4 33,-0.3 31,-0.3 27,-0.1 -0.800 55.2 173.3 -96.7 98.3 -0.4 30.0 12.8 13 1012 A E - 0 0 40 -2,-1.0 34,-0.6 31,-0.1 -1,-0.2 0.724 38.2-127.7 -78.7 -25.3 0.0 28.1 16.0 14 1013 A G S S+ 0 0 3 1,-0.2 2,-0.1 34,-0.1 -2,-0.1 0.578 74.8 87.8 89.9 8.1 -1.9 30.4 18.3 15 1014 A X S > S- 0 0 59 35,-0.0 4,-2.8 36,-0.0 -1,-0.2 -0.072 98.8 -38.7-113.6-142.7 0.8 30.8 21.0 16 1015 A G H > S+ 0 0 36 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.794 131.9 50.9 -56.4 -38.0 3.7 33.1 21.5 17 1016 A V H > S+ 0 0 24 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.908 114.0 45.3 -68.4 -40.8 4.9 33.3 17.9 18 1017 A T H > S+ 0 0 0 2,-0.2 4,-2.3 -3,-0.2 -2,-0.2 0.937 114.0 49.7 -65.8 -45.7 1.4 34.2 16.8 19 1018 A K H X S+ 0 0 18 -4,-2.8 4,-2.5 1,-0.2 5,-0.2 0.933 112.2 47.7 -57.7 -48.5 1.1 36.7 19.6 20 1019 A F H X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.937 110.6 52.1 -58.6 -47.9 4.4 38.3 18.8 21 1020 A S H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.869 111.9 45.9 -58.3 -38.4 3.5 38.5 15.1 22 1021 A L H X S+ 0 0 13 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.894 114.3 46.6 -72.8 -40.2 0.2 40.2 15.8 23 1022 A E H X S+ 0 0 13 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.861 112.1 52.9 -68.1 -35.1 1.8 42.7 18.3 24 1023 A Q H X S+ 0 0 0 -4,-2.9 4,-2.3 -5,-0.2 -2,-0.2 0.927 108.9 48.8 -64.7 -46.4 4.6 43.3 15.7 25 1024 A R H X S+ 0 0 44 -4,-2.1 4,-2.5 1,-0.2 5,-0.3 0.945 110.6 51.6 -58.8 -47.6 2.0 44.1 13.1 26 1025 A D H X S+ 0 0 62 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.891 109.4 49.4 -57.4 -43.1 0.2 46.4 15.4 27 1026 A W H X S+ 0 0 17 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.943 111.8 47.6 -64.2 -47.2 3.4 48.3 16.2 28 1027 A F H <>S+ 0 0 4 -4,-2.3 5,-3.0 2,-0.2 -2,-0.2 0.911 115.4 44.7 -60.8 -43.5 4.4 48.8 12.6 29 1028 A I H ><5S+ 0 0 75 -4,-2.5 3,-1.8 1,-0.2 -1,-0.2 0.914 111.2 54.1 -65.9 -42.6 0.9 50.0 11.6 30 1029 A K H 3<5S+ 0 0 153 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.830 108.7 50.8 -60.2 -32.3 0.7 52.2 14.6 31 1030 A N T 3<5S- 0 0 78 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.089 127.9 -94.6 -96.0 22.9 4.0 53.8 13.5 32 1031 A G T < 5S+ 0 0 46 -3,-1.8 2,-0.2 1,-0.2 -3,-0.2 0.587 81.3 128.3 81.2 13.2 2.9 54.5 9.9 33 1032 A H < - 0 0 25 -5,-3.0 2,-0.4 -6,-0.2 -1,-0.2 -0.631 57.8-118.0-100.9 160.1 4.1 51.4 8.1 34 1033 A E E -a 3 0A 128 -32,-2.2 -30,-3.5 -2,-0.2 2,-0.4 -0.811 34.4-166.9 -96.0 136.1 2.2 49.0 5.8 35 1034 A V E -a 4 0A 26 -2,-0.4 2,-0.4 -32,-0.2 -30,-0.2 -0.973 20.0-172.8-132.9 139.5 1.9 45.4 6.9 36 1035 A T E -a 5 0A 44 -32,-2.0 -30,-2.8 -2,-0.4 2,-0.6 -0.994 15.1-153.8-123.6 129.6 0.9 42.1 5.5 37 1036 A L E +a 6 0A 1 -2,-0.4 21,-3.3 19,-0.4 2,-0.4 -0.934 19.5 179.1-108.5 115.3 0.7 39.1 7.8 38 1037 A V E +ac 7 58A 1 -32,-3.1 -30,-2.6 -2,-0.6 2,-0.3 -0.931 5.6 179.4-119.9 138.3 1.2 35.8 6.0 39 1038 A Y E -ac 8 59A 31 19,-2.1 21,-1.8 -2,-0.4 2,-0.4 -0.996 33.6-109.2-139.9 145.3 1.2 32.2 7.3 40 1039 A A E - c 0 60A 3 -32,-2.2 3,-0.4 -2,-0.3 -28,-0.4 -0.565 22.0-167.0 -71.8 125.7 1.7 28.8 5.9 41 1040 A K + 0 0 125 19,-2.7 20,-0.2 -2,-0.4 -1,-0.1 0.496 64.0 100.9 -91.2 -5.4 -1.6 26.9 5.9 42 1041 A D S S+ 0 0 46 18,-0.6 2,-0.4 1,-0.1 -1,-0.2 0.823 86.2 39.5 -48.2 -39.8 0.1 23.6 5.1 43 1042 A K S S- 0 0 62 -3,-0.4 -31,-0.3 -33,-0.2 2,-0.2 -0.959 79.6-149.2-118.9 133.2 -0.1 22.5 8.8 44 1043 A S - 0 0 108 -2,-0.4 2,-0.3 -33,-0.1 -31,-0.1 -0.667 9.9-157.4 -99.7 155.2 -3.1 23.2 11.0 45 1044 A F > - 0 0 38 -33,-0.3 3,-0.8 -2,-0.2 -33,-0.0 -0.911 24.4-123.7-131.9 159.8 -3.1 23.9 14.8 46 1045 A T T 3 S+ 0 0 115 -2,-0.3 3,-0.4 1,-0.2 -32,-0.1 0.838 106.4 47.7 -68.8 -37.7 -5.5 23.6 17.7 47 1046 A R T > + 0 0 17 -34,-0.6 3,-2.0 1,-0.2 4,-0.4 0.032 66.5 124.6 -97.4 29.1 -5.3 27.2 18.9 48 1047 A T T < S+ 0 0 46 -3,-0.8 3,-0.2 1,-0.3 -1,-0.2 0.759 79.9 47.5 -59.3 -21.3 -5.7 29.0 15.5 49 1048 A S T 3 S+ 0 0 36 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.393 82.3 95.3-100.2 3.1 -8.6 30.9 17.1 50 1049 A S S < S+ 0 0 7 -3,-2.0 228,-2.3 227,-0.2 229,-0.5 0.865 89.4 39.2 -62.0 -36.6 -6.9 31.9 20.3 51 1050 A H S S- 0 0 23 -4,-0.4 2,-0.5 -3,-0.2 3,-0.3 -0.864 92.6-107.4-116.2 151.1 -5.9 35.3 18.9 52 1051 A D S S+ 0 0 129 -2,-0.3 -3,-0.1 1,-0.2 -2,-0.1 -0.634 71.0 113.5 -78.3 121.0 -7.8 37.7 16.7 53 1052 A H >> + 0 0 3 -2,-0.5 4,-2.9 4,-0.1 3,-2.7 0.401 36.3 102.3-157.2 -23.6 -6.3 37.7 13.2 54 1053 A K T 34 S+ 0 0 138 -3,-0.3 -2,-0.1 1,-0.3 -5,-0.0 0.716 77.3 63.0 -45.9 -29.9 -8.9 36.2 10.7 55 1054 A S T 34 S+ 0 0 103 1,-0.1 -1,-0.3 3,-0.0 -3,-0.0 0.567 125.1 9.9 -77.3 -7.7 -9.9 39.5 9.4 56 1055 A F T <4 S+ 0 0 48 -3,-2.7 -19,-0.4 -20,-0.0 -2,-0.2 0.530 93.2 112.8-142.4 -21.3 -6.5 40.3 8.0 57 1056 A S < - 0 0 15 -4,-2.9 -19,-0.2 -21,-0.1 -4,-0.1 -0.334 55.2-142.4 -62.9 140.7 -4.2 37.3 8.1 58 1057 A I E -c 38 0A 44 -21,-3.3 -19,-2.1 2,-0.0 2,-0.2 -0.886 13.2-159.4-110.4 105.5 -3.2 35.8 4.7 59 1058 A P E -c 39 0A 46 0, 0.0 2,-0.3 0, 0.0 -19,-0.2 -0.552 11.9-180.0 -83.1 148.5 -3.0 32.0 4.6 60 1059 A V E -c 40 0A 0 -21,-1.8 -19,-2.7 -2,-0.2 2,-1.0 -0.985 28.3-133.6-149.7 135.9 -1.0 30.3 1.8 61 1060 A I >> - 0 0 52 -2,-0.3 4,-3.3 -21,-0.2 3,-1.0 -0.805 17.4-166.2 -91.5 104.4 -0.3 26.7 1.0 62 1061 A L T 34 S+ 0 0 1 -2,-1.0 4,-0.2 1,-0.3 -1,-0.2 0.884 85.7 55.0 -57.4 -42.1 3.4 26.5 0.4 63 1062 A A T 34 S+ 0 0 25 1,-0.2 -1,-0.3 2,-0.1 30,-0.1 0.698 127.9 16.9 -66.9 -19.5 3.2 23.1 -1.2 64 1063 A K T <4 S+ 0 0 177 -3,-1.0 -2,-0.2 1,-0.0 -1,-0.2 0.485 124.0 51.5-132.1 -7.0 0.6 24.2 -3.7 65 1064 A E X + 0 0 72 -4,-3.3 4,-2.7 1,-0.1 5,-0.2 -0.234 56.9 140.1-127.9 45.8 0.6 28.0 -3.9 66 1065 A Y H > S+ 0 0 29 1,-0.2 4,-3.1 -4,-0.2 5,-0.2 0.903 74.6 52.5 -53.9 -46.9 4.3 28.8 -4.4 67 1066 A D H > S+ 0 0 129 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.921 110.9 46.9 -56.7 -47.0 3.5 31.6 -6.9 68 1067 A K H > S+ 0 0 89 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.941 113.8 48.7 -60.5 -47.8 1.1 33.3 -4.4 69 1068 A A H X S+ 0 0 2 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.913 111.0 49.7 -59.2 -46.3 3.7 32.9 -1.6 70 1069 A L H X S+ 0 0 37 -4,-3.1 4,-1.9 1,-0.2 -1,-0.2 0.917 109.0 51.0 -61.1 -46.0 6.5 34.4 -3.6 71 1070 A K H < S+ 0 0 149 -4,-2.3 4,-0.3 -5,-0.2 -1,-0.2 0.890 111.3 50.3 -59.5 -39.3 4.5 37.4 -4.8 72 1071 A L H >< S+ 0 0 27 -4,-1.9 3,-1.3 1,-0.2 -2,-0.2 0.950 111.6 44.4 -64.7 -51.7 3.6 38.1 -1.1 73 1072 A V H 3< S+ 0 0 2 -4,-2.3 3,-0.3 1,-0.3 -1,-0.2 0.756 112.8 52.3 -67.5 -24.8 7.1 37.9 0.3 74 1073 A N T 3< S+ 0 0 30 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.403 90.4 79.6 -91.5 3.2 8.6 40.0 -2.5 75 1074 A D S < S+ 0 0 76 -3,-1.3 2,-0.3 -4,-0.3 -1,-0.2 -0.208 86.7 70.2-101.5 41.3 6.0 42.8 -2.1 76 1075 A C - 0 0 2 -3,-0.3 -72,-0.2 1,-0.1 3,-0.1 -0.894 69.9-137.3-145.8 174.4 7.8 44.4 0.9 77 1076 A D S S+ 0 0 63 -74,-3.3 32,-2.1 1,-0.4 2,-0.4 0.675 100.0 31.0-102.9 -32.4 10.9 46.3 1.9 78 1077 A I E -bd 4 109A 7 -75,-1.8 -73,-2.4 30,-0.2 2,-0.6 -0.995 69.6-160.4-132.2 125.9 11.4 44.2 5.0 79 1078 A L E -bd 5 110A 0 30,-2.0 32,-3.3 -2,-0.4 2,-0.6 -0.934 7.6-162.7-108.2 122.3 10.5 40.5 5.3 80 1079 A I E -bd 6 111A 0 -75,-3.1 -73,-3.5 -2,-0.6 2,-0.7 -0.914 0.9-164.9-109.6 114.7 10.2 39.2 8.9 81 1080 A I E +bd 7 112A 1 30,-2.8 32,-1.8 -2,-0.6 -73,-0.2 -0.867 14.8 169.8-101.8 109.3 10.3 35.4 9.3 82 1081 A N E + 0 0 5 -75,-2.2 33,-0.4 -2,-0.7 2,-0.3 0.542 66.1 11.4 -95.5 -9.1 9.1 34.4 12.7 83 1082 A S E -b 8 0A 16 -76,-0.8 -74,-1.8 31,-0.1 -1,-0.2 -0.980 61.5-145.9-163.6 156.0 8.9 30.6 12.1 84 1083 A V - 0 0 5 -2,-0.3 43,-0.1 -75,-0.2 44,-0.1 -0.802 44.8 -66.9-122.7 165.3 9.9 28.0 9.6 85 1084 A P - 0 0 1 0, 0.0 41,-2.1 0, 0.0 -75,-0.2 -0.130 52.9-117.2 -52.4 144.3 8.2 24.7 8.5 86 1085 A A B > -G 125 0B 1 -76,-0.3 3,-1.7 39,-0.2 39,-0.2 -0.414 25.5-107.0 -81.0 159.8 7.9 21.9 11.0 87 1086 A T T 3 S+ 0 0 73 37,-1.6 38,-0.1 1,-0.3 -1,-0.1 0.570 114.3 64.4 -63.8 -7.9 9.6 18.5 10.6 88 1087 A S T 3 S+ 0 0 80 36,-0.2 -1,-0.3 2,-0.0 2,-0.1 0.441 76.0 109.5 -97.3 -0.0 6.2 16.9 9.8 89 1088 A V S < S- 0 0 23 -3,-1.7 2,-0.1 1,-0.1 -46,-0.0 -0.362 75.2-101.2 -75.4 156.6 5.4 18.8 6.6 90 1089 A Q >> - 0 0 161 1,-0.1 4,-1.4 -48,-0.1 3,-1.2 -0.378 36.9-102.9 -73.7 156.3 5.4 17.0 3.2 91 1090 A E H 3> S+ 0 0 134 1,-0.3 4,-3.2 2,-0.2 5,-0.3 0.835 119.6 59.1 -46.4 -44.1 8.4 17.5 0.9 92 1091 A A H 3> S+ 0 0 40 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.874 103.9 53.0 -56.7 -38.8 6.6 20.0 -1.3 93 1092 A T H <> S+ 0 0 8 -3,-1.2 4,-1.4 2,-0.2 -1,-0.2 0.968 116.3 35.3 -62.2 -55.6 6.1 22.3 1.6 94 1093 A I H X S+ 0 0 6 -4,-1.4 4,-2.4 2,-0.2 -2,-0.2 0.866 117.1 54.5 -68.7 -37.1 9.7 22.5 2.7 95 1094 A N H X S+ 0 0 77 -4,-3.2 4,-2.0 -5,-0.3 -1,-0.2 0.935 110.9 44.7 -62.9 -46.0 11.0 22.4 -0.8 96 1095 A N H X S+ 0 0 25 -4,-2.4 4,-1.9 -5,-0.3 -1,-0.2 0.799 110.8 55.5 -69.1 -27.1 8.9 25.3 -1.9 97 1096 A Y H X S+ 0 0 1 -4,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.928 108.7 46.8 -69.8 -43.1 9.9 27.1 1.3 98 1097 A K H X S+ 0 0 76 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.870 111.1 52.5 -64.8 -36.0 13.6 26.7 0.5 99 1098 A K H X S+ 0 0 95 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.885 105.5 55.7 -66.4 -38.1 12.8 27.9 -3.1 100 1099 A L H X S+ 0 0 3 -4,-1.9 4,-0.6 1,-0.2 3,-0.3 0.934 106.2 50.2 -57.8 -48.6 11.1 31.0 -1.6 101 1100 A L H >< S+ 0 0 5 -4,-1.9 3,-0.9 1,-0.2 -1,-0.2 0.911 111.1 48.7 -56.8 -46.0 14.3 31.9 0.3 102 1101 A D H 3< S+ 0 0 135 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.774 115.9 44.2 -66.5 -27.5 16.4 31.5 -2.8 103 1102 A N H 3< S+ 0 0 86 -4,-1.7 -1,-0.2 -3,-0.3 -2,-0.2 0.331 78.9 119.5-103.4 7.9 14.1 33.7 -4.8 104 1103 A I S << S- 0 0 7 -3,-0.9 -30,-0.1 -4,-0.6 6,-0.0 -0.516 83.2 -90.1 -69.5 140.6 13.3 36.5 -2.4 105 1104 A K > - 0 0 87 -2,-0.2 3,-1.6 1,-0.2 -1,-0.1 -0.282 31.5-133.5 -54.1 129.6 14.5 39.8 -4.0 106 1105 A P T 3 S+ 0 0 123 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.783 104.1 59.5 -55.8 -29.3 18.1 40.4 -2.9 107 1106 A S T 3 S+ 0 0 102 2,-0.1 2,-0.2 0, 0.0 -2,-0.1 0.689 83.4 99.2 -75.4 -19.0 17.3 44.0 -2.1 108 1107 A I S < S- 0 0 3 -3,-1.6 2,-0.8 1,-0.1 -30,-0.2 -0.515 76.7-128.8 -72.2 132.6 14.7 43.0 0.5 109 1108 A R E -d 78 0A 96 -32,-2.1 -30,-2.0 -2,-0.2 2,-0.6 -0.739 22.6-153.3 -85.9 112.0 16.0 43.0 4.1 110 1109 A V E -d 79 0A 0 -2,-0.8 26,-3.3 24,-0.3 27,-1.5 -0.765 8.9-167.0 -91.5 121.8 15.3 39.7 5.7 111 1110 A V E -de 80 137A 0 -32,-3.3 -30,-2.8 -2,-0.6 2,-0.5 -0.923 2.1-163.0-110.2 126.0 14.9 39.7 9.4 112 1111 A V E -de 81 138A 4 25,-3.2 27,-2.6 -2,-0.5 2,-0.5 -0.938 3.0-167.8-115.2 124.5 14.8 36.4 11.3 113 1112 A Y E - e 0 139A 5 -32,-1.8 2,-0.8 -2,-0.5 27,-0.2 -0.931 10.6-153.3-109.0 126.1 13.6 36.0 14.9 114 1113 A Q E + e 0 140A 12 25,-2.8 27,-0.5 -2,-0.5 -31,-0.1 -0.882 18.4 175.0 -99.4 107.6 14.2 32.8 16.8 115 1114 A H + 0 0 15 -2,-0.8 2,-0.2 -33,-0.4 -1,-0.1 0.521 48.9 82.3 -91.1 -8.3 11.4 32.6 19.3 116 1115 A D - 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n 0 349D 12 -30,-1.0 4,-1.6 -28,-0.3 3,-0.7 -0.525 36.3-138.5 -69.4 122.1 8.7 32.0 39.5 324 1323 A K H 3> S+ 0 0 72 25,-2.5 4,-2.1 -2,-0.4 3,-0.3 0.896 98.1 51.2 -48.7 -54.9 11.4 33.5 41.8 325 1324 A S H 3> S+ 0 0 37 24,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.805 106.5 56.6 -58.8 -29.2 14.5 32.1 40.0 326 1325 A T H <> S+ 0 0 2 -3,-0.7 4,-1.1 -31,-0.2 -1,-0.2 0.918 107.8 47.3 -68.6 -40.7 13.1 33.5 36.7 327 1326 A G H < S+ 0 0 0 -4,-1.6 12,-1.4 -3,-0.3 13,-1.0 0.867 112.8 49.9 -66.4 -34.8 13.0 36.9 38.2 328 1327 A E H < S+ 0 0 89 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.827 112.8 47.0 -71.0 -32.0 16.5 36.5 39.5 329 1328 A N H < S+ 0 0 38 -4,-1.9 2,-0.3 -5,-0.2 -1,-0.2 0.552 101.1 77.4 -87.7 -11.4 17.8 35.3 36.1 330 1329 A L S < S- 0 0 0 -4,-1.1 9,-1.8 -3,-0.2 2,-0.4 -0.790 71.1-139.1-103.0 147.1 16.2 38.1 34.1 331 1330 A K B -O 338 0E 85 -28,-2.7 2,-0.1 -2,-0.3 -28,-0.1 -0.886 22.2-111.2-110.1 135.6 17.5 41.6 33.8 332 1331 A F > - 0 0 17 5,-3.2 4,-2.4 -2,-0.4 5,-0.1 -0.343 20.9-134.3 -61.1 131.8 15.3 44.8 33.8 333 1332 A R T 4 S+ 0 0 59 1,-0.2 -1,-0.1 -29,-0.2 52,-0.1 0.871 100.6 53.3 -56.5 -37.7 15.3 46.5 30.4 334 1333 A V T 4 S+ 0 0 76 1,-0.1 -1,-0.2 3,-0.1 51,-0.0 0.936 131.6 0.7 -68.2 -52.3 15.8 49.9 32.0 335 1334 A D T 4 S- 0 0 81 2,-0.2 -2,-0.2 3,-0.0 -1,-0.1 0.358 89.8-118.5-123.8 6.6 18.9 49.4 34.2 336 1335 A N < + 0 0 97 -4,-2.4 -3,-0.1 1,-0.2 3,-0.1 0.719 67.4 134.3 65.5 24.2 19.9 45.8 33.6 337 1336 A T - 0 0 47 1,-0.1 -5,-3.2 -5,-0.1 -1,-0.2 -0.694 68.1 -78.7-100.5 157.2 19.4 44.7 37.3 338 1337 A P B > -O 331 0E 54 0, 0.0 3,-1.7 0, 0.0 -7,-0.2 -0.201 35.7-126.8 -53.7 142.1 17.6 41.5 38.3 339 1338 A L G > S+ 0 0 0 -9,-1.8 3,-1.2 -12,-1.4 -11,-0.2 0.856 109.7 60.5 -59.8 -33.8 13.8 41.8 38.1 340 1339 A T G 3 S+ 0 0 42 -13,-1.0 -1,-0.3 -10,-0.3 -12,-0.1 0.627 87.3 74.8 -69.2 -13.3 13.6 40.6 41.8 341 1340 A S G < S+ 0 0 71 -3,-1.7 2,-0.3 -14,-0.2 -1,-0.3 0.398 86.9 82.1 -81.4 5.8 15.7 43.6 42.9 342 1341 A H S < S- 0 0 51 -3,-1.2 2,-1.8 -4,-0.1 3,-0.2 -0.801 82.8-123.6-115.5 155.3 12.7 45.9 42.5 343 1342 A D + 0 0 120 -2,-0.3 -3,-0.1 1,-0.2 -2,-0.1 -0.666 58.5 146.3 -89.2 77.7 9.7 46.9 44.5 344 1343 A S - 0 0 3 -2,-1.8 37,-0.3 2,-0.2 -1,-0.2 0.541 63.7-117.4 -96.2 -11.5 7.5 45.9 41.6 345 1344 A G S S+ 0 0 5 1,-0.3 2,-0.2 -3,-0.2 33,-0.1 0.290 72.6 132.9 89.8 -11.9 4.4 44.5 43.3 346 1345 A I - 0 0 14 -27,-0.1 2,-0.7 31,-0.1 -1,-0.3 -0.529 56.1-134.7 -74.8 137.7 5.1 41.1 41.8 347 1346 A I E -n 321 0D 8 -27,-3.0 -25,-1.9 -2,-0.2 2,-1.1 -0.857 15.8-144.4 -94.6 117.7 4.9 38.2 44.2 348 1347 A W E -n 322 0D 40 -2,-0.7 -25,-0.2 -27,-0.2 2,-0.1 -0.724 14.4-135.7 -90.2 99.7 7.9 35.9 43.6 349 1348 A F E -n 323 0D 1 -27,-2.6 -25,-2.5 -2,-1.1 2,-0.6 -0.306 19.1-161.2 -53.7 120.4 6.8 32.3 44.1 350 1349 A D > - 0 0 35 3,-0.3 3,-1.9 -27,-0.1 7,-0.3 -0.908 14.1-166.3-114.0 106.9 9.4 30.6 46.2 351 1350 A E T 3 S+ 0 0 97 -2,-0.6 3,-0.4 1,-0.3 -1,-0.1 0.741 93.3 54.3 -62.1 -22.1 9.3 26.8 46.0 352 1351 A N T 3 S+ 0 0 142 1,-0.2 -1,-0.3 -3,-0.1 3,-0.0 0.487 124.3 23.3 -89.7 -4.8 11.6 26.7 49.0 353 1352 A D <> + 0 0 71 -3,-1.9 4,-1.5 2,-0.1 3,-0.4 -0.318 65.3 153.7-156.8 61.8 9.3 28.9 51.1 354 1353 A M H > S+ 0 0 17 -3,-0.4 4,-2.9 1,-0.2 5,-0.2 0.767 74.1 67.1 -65.0 -23.7 5.8 28.6 49.7 355 1354 A E H > S+ 0 0 117 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.942 101.8 45.9 -61.6 -45.7 4.5 29.5 53.2 356 1355 A S H > S+ 0 0 65 -3,-0.4 4,-1.7 1,-0.2 -1,-0.2 0.881 111.6 53.5 -63.5 -38.6 6.0 33.0 52.8 357 1356 A T H X S+ 0 0 7 -4,-1.5 4,-1.7 -7,-0.3 -2,-0.2 0.941 111.1 44.3 -62.3 -47.9 4.5 33.2 49.3 358 1357 A F H X S+ 0 0 11 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.849 107.8 59.7 -67.7 -31.6 1.0 32.4 50.5 359 1358 A E H X S+ 0 0 87 -4,-2.2 4,-1.8 -5,-0.2 -1,-0.2 0.897 106.1 47.7 -62.7 -38.2 1.4 34.8 53.5 360 1359 A R H X S+ 0 0 80 -4,-1.7 4,-2.3 2,-0.2 5,-0.2 0.899 110.4 52.5 -68.7 -39.5 2.0 37.6 51.0 361 1360 A I H X S+ 0 0 2 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.917 109.3 48.7 -61.9 -43.8 -1.0 36.5 49.0 362 1361 A K H X S+ 0 0 80 -4,-2.7 4,-1.3 1,-0.2 -1,-0.2 0.869 108.7 55.6 -64.8 -34.5 -3.2 36.5 52.1 363 1362 A E H < S+ 0 0 92 -4,-1.8 4,-0.4 1,-0.2 3,-0.4 0.948 111.9 40.5 -63.6 -48.7 -1.9 40.0 53.0 364 1363 A L H >< S+ 0 0 1 -4,-2.3 3,-0.9 1,-0.2 7,-0.4 0.859 110.7 59.9 -68.6 -32.7 -2.9 41.5 49.7 365 1364 A S H 3< S+ 0 0 19 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.797 106.0 48.1 -64.0 -29.2 -6.2 39.6 49.7 366 1365 A S T 3< S+ 0 0 100 -4,-1.3 2,-0.4 -3,-0.4 -1,-0.2 0.485 109.3 52.5 -92.8 -3.5 -7.2 41.3 53.0 367 1366 A D <> - 0 0 65 -3,-0.9 4,-2.8 -4,-0.4 3,-0.2 -0.829 56.9-171.5-138.8 97.4 -6.5 44.9 52.1 368 1367 A R H > S+ 0 0 108 -2,-0.4 4,-2.4 1,-0.2 5,-0.1 0.825 89.8 53.9 -55.4 -36.2 -8.0 46.3 48.8 369 1368 A A H > S+ 0 0 51 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.921 111.6 43.8 -66.5 -44.1 -5.9 49.5 49.1 370 1369 A L H > S+ 0 0 20 2,-0.2 4,-3.0 -3,-0.2 5,-0.2 0.932 111.8 54.8 -63.9 -46.6 -2.6 47.5 49.4 371 1370 A Y H X S+ 0 0 0 -4,-2.8 4,-2.4 -7,-0.4 5,-0.2 0.928 109.7 47.4 -51.5 -50.0 -3.8 45.2 46.6 372 1371 A D H X S+ 0 0 48 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.914 111.3 49.6 -60.9 -45.9 -4.4 48.3 44.3 373 1372 A R H X S+ 0 0 138 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.929 111.5 50.5 -60.2 -44.1 -1.0 49.8 45.2 374 1373 A E H X S+ 0 0 11 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.911 111.6 44.7 -63.5 -44.3 0.8 46.6 44.4 375 1374 A R H X S+ 0 0 4 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.832 108.6 57.4 -72.2 -28.5 -0.8 45.9 41.1 376 1375 A E H X S+ 0 0 78 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.903 109.3 47.7 -65.4 -36.4 -0.3 49.6 40.0 377 1376 A K H X S+ 0 0 62 -4,-1.8 4,-2.6 -5,-0.2 -2,-0.2 0.925 111.9 48.8 -67.4 -43.4 3.4 49.0 40.7 378 1377 A A H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 5,-0.3 0.917 110.6 50.8 -62.5 -45.5 3.4 45.7 38.7 379 1378 A Y H X S+ 0 0 24 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.942 113.6 44.1 -57.7 -49.3 1.7 47.2 35.8 380 1379 A E H X S+ 0 0 87 -4,-2.1 4,-2.6 -5,-0.2 -2,-0.2 0.898 113.7 51.0 -64.1 -40.6 4.1 50.1 35.6 381 1380 A F H X S+ 0 0 16 -4,-2.6 4,-2.0 -37,-0.3 -2,-0.2 0.938 113.4 43.3 -62.5 -48.7 7.1 47.8 36.1 382 1381 A L H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 -1,-0.2 0.852 112.4 54.5 -67.1 -34.1 6.1 45.4 33.3 383 1382 A Y H X S+ 0 0 53 -4,-2.2 4,-2.0 -5,-0.3 -2,-0.2 0.957 110.8 45.1 -62.2 -50.5 5.2 48.4 31.1 384 1383 A Q H < S+ 0 0 57 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.856 116.9 48.0 -61.6 -34.9 8.7 49.9 31.5 385 1384 A H H < S- 0 0 0 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.905 132.5 -0.7 -76.8 -41.3 10.3 46.5 31.0 386 1385 A Q H < S+ 0 0 0 -4,-2.8 -207,-1.3 -5,-0.1 -2,-0.2 0.189 76.8 140.7-143.1 25.5 8.6 45.1 27.9 387 1386 A D B >X -h 179 0C 5 -4,-2.0 4,-2.1 -209,-0.2 3,-1.6 -0.426 57.7-121.3 -69.7 147.5 6.0 47.4 26.3 388 1387 A S H 3>>S+ 0 0 7 -209,-1.7 4,-1.5 1,-0.3 5,-0.7 0.832 109.0 69.2 -55.8 -35.1 6.0 47.5 22.5 389 1388 A S H 345S+ 0 0 53 -210,-0.2 -1,-0.3 1,-0.2 -209,-0.1 0.790 113.5 28.5 -56.4 -28.1 6.6 51.3 22.6 390 1389 A F H <>5S+ 0 0 52 -3,-1.6 4,-1.9 -7,-0.2 -2,-0.2 0.887 124.6 41.3 -95.8 -57.8 10.1 50.6 23.9 391 1390 A C H X5S+ 0 0 2 -4,-2.1 4,-2.5 1,-0.2 5,-0.2 0.884 112.9 49.4 -64.8 -45.4 11.1 47.1 22.6 392 1391 A F H X5S+ 0 0 2 -4,-1.5 4,-2.4 -5,-0.2 -1,-0.2 0.815 111.2 53.0 -66.7 -26.3 9.8 47.3 19.0 393 1392 A K H >< S+ 0 0 32 -4,-1.5 3,-0.6 -5,-0.2 -2,-0.2 0.882 112.0 50.8 -71.2 -39.1 18.7 47.5 15.0 399 1398 A I H 3< S+ 0 0 3 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.892 115.2 41.0 -66.2 -40.6 16.9 46.3 11.8 400 1399 A T T 3< 0 0 55 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.389 360.0 360.0 -90.4 3.3 17.4 49.6 10.0 401 1400 A K < 0 0 173 -3,-0.6 -3,-0.1 -4,-0.4 -4,-0.0 -0.059 360.0 360.0 -51.9 360.0 21.0 50.1 11.2