==== 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 HYDROLASE 03-DEC-99 1DJP . COMPND 2 MOLECULE: GLUTAMINASE-ASPARAGINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS SP.; . AUTHOR E.ORTLUND,M.W.LACOUNT,K.LEWINSKI,L.LEBIODA . 662 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22894.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 449 67.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 84 12.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 36 5.4 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 57 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 77 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 154 23.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.9 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 3 0 1 1 3 2 1 4 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 3 1 2 4 2 1 1 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 . 4 6 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 2 2 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 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 1008 A K 0 0 265 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 38.1 69.6 137.9 103.5 2 1009 A L - 0 0 78 1,-0.1 46,-0.2 46,-0.0 45,-0.1 -0.675 360.0-108.6 -84.0 139.0 66.1 137.1 102.3 3 1010 A A - 0 0 23 44,-0.4 46,-2.8 -2,-0.3 2,-0.6 -0.223 27.8-118.0 -64.4 154.4 65.8 134.5 99.5 4 1011 A N E -a 49 0A 36 44,-0.2 81,-3.1 46,-0.1 82,-1.5 -0.881 34.4-177.7-100.3 115.5 64.8 135.6 96.0 5 1012 A V E -ab 50 86A 0 44,-2.6 46,-2.1 -2,-0.6 2,-0.5 -0.954 12.9-154.8-118.3 131.5 61.5 134.1 94.8 6 1013 A V E -ab 51 87A 0 80,-1.9 82,-2.8 -2,-0.4 2,-0.6 -0.890 7.2-149.3-105.8 130.8 60.0 134.6 91.4 7 1014 A I E -ab 52 88A 1 44,-2.9 46,-2.2 -2,-0.5 2,-0.8 -0.908 7.5-159.7-101.5 115.8 56.2 134.2 90.9 8 1015 A L E -ab 53 89A 0 80,-3.7 82,-1.0 -2,-0.6 2,-0.3 -0.856 12.9-155.8 -97.9 99.5 55.4 133.0 87.4 9 1016 A A E +ab 54 90A 1 44,-2.8 46,-2.1 -2,-0.8 47,-1.5 -0.586 27.3 163.3 -80.9 134.3 51.7 133.9 86.8 10 1017 A T E - 0 0 5 80,-1.5 48,-2.5 1,-0.4 2,-0.4 0.345 51.2-108.3-129.0 2.2 49.6 131.9 84.2 11 1018 A G E +a 58 0A 1 46,-0.3 -1,-0.4 79,-0.2 4,-0.3 -0.859 56.6 134.8 109.0-142.8 46.0 132.9 85.2 12 1019 A G S S- 0 0 0 46,-1.0 18,-2.2 -2,-0.4 19,-0.3 -0.371 74.7 -44.1 92.0-169.0 43.5 130.7 86.9 13 1020 A T S > S+ 0 0 0 105,-0.3 3,-2.0 1,-0.2 109,-0.6 0.797 126.4 66.2 -73.3 -28.7 41.0 131.2 89.8 14 1021 A I T 3 S+ 0 0 14 1,-0.3 108,-0.4 -3,-0.3 -1,-0.2 0.883 112.0 35.9 -58.9 -40.4 43.6 133.0 92.0 15 1022 A A T 3 S+ 0 0 2 -4,-0.3 16,-2.9 -3,-0.2 17,-2.7 0.055 104.6 115.8 -97.9 20.5 43.6 135.8 89.5 16 1023 A G < - 0 0 2 -3,-2.0 106,-0.5 14,-0.2 2,-0.3 -0.274 52.1-147.7 -85.7 174.8 39.9 135.2 88.9 17 1024 A A B -F 28 0B 33 11,-2.7 11,-2.7 104,-0.1 2,-0.2 -0.961 6.4-163.5-151.7 129.0 36.9 137.6 89.5 18 1025 A G - 0 0 17 -2,-0.3 9,-0.2 9,-0.3 6,-0.0 -0.600 34.1-112.2-104.7 168.0 33.3 137.0 90.5 19 1026 A A S S+ 0 0 101 7,-0.5 2,-0.2 -2,-0.2 8,-0.1 0.809 94.5 0.2 -68.1 -33.1 30.3 139.4 90.4 20 1027 A S S > S- 0 0 57 3,-0.0 3,-0.5 1,-0.0 -2,-0.2 -0.800 77.9 -95.7-143.9-175.5 30.0 139.6 94.2 21 1028 A A T 3 S+ 0 0 50 -2,-0.2 104,-2.8 1,-0.2 -1,-0.0 0.716 120.3 60.1 -78.6 -23.4 31.5 138.5 97.5 22 1029 A A T 3 S+ 0 0 73 102,-0.2 2,-1.1 1,-0.1 -1,-0.2 0.526 82.8 96.1 -81.3 -7.0 29.0 135.7 97.7 23 1030 A N < + 0 0 44 -3,-0.5 100,-0.1 1,-0.2 -5,-0.1 -0.721 35.1 146.2 -90.4 95.7 30.3 134.2 94.4 24 1031 A S S S+ 0 0 48 -2,-1.1 -1,-0.2 96,-0.1 3,-0.1 0.580 79.6 24.0-102.5 -15.6 32.7 131.5 95.3 25 1032 A A S S+ 0 0 27 1,-0.2 2,-0.7 -3,-0.2 589,-0.1 0.626 110.7 66.8-123.0 -24.6 32.1 129.1 92.4 26 1033 A T S S+ 0 0 57 2,-0.0 -7,-0.5 95,-0.0 2,-0.3 -0.914 74.0 106.8-104.5 110.9 30.7 131.2 89.6 27 1034 A Y - 0 0 35 -2,-0.7 2,-0.5 590,-0.4 -9,-0.3 -0.965 66.1 -93.7-166.9 178.8 33.3 133.6 88.3 28 1035 A Q B -F 17 0B 118 -11,-2.7 -11,-2.7 -2,-0.3 3,-0.3 -0.941 36.0-143.6-115.0 124.1 35.7 134.4 85.5 29 1036 A A S S+ 0 0 10 -2,-0.5 -16,-0.2 -13,-0.3 -13,-0.1 -0.266 73.6 33.2 -79.5 167.3 39.3 133.2 85.6 30 1037 A A S S+ 0 0 10 -18,-2.2 -14,-0.2 28,-0.2 -1,-0.2 0.866 76.3 121.3 53.2 50.5 42.5 135.1 84.5 31 1038 A K + 0 0 121 -16,-2.9 2,-0.3 -19,-0.3 -15,-0.2 0.643 55.5 69.2-110.9 -22.5 41.2 138.6 85.2 32 1039 A V S S- 0 0 23 -17,-2.7 -21,-0.1 1,-0.1 -17,-0.1 -0.788 74.5-126.2-106.3 144.4 43.9 139.8 87.7 33 1040 A G > - 0 0 26 -2,-0.3 4,-1.3 1,-0.1 3,-0.3 -0.247 25.2-107.6 -80.8 171.0 47.6 140.6 87.0 34 1041 A V H > S+ 0 0 9 1,-0.2 4,-2.0 2,-0.2 3,-0.2 0.914 116.5 44.8 -67.2 -46.2 50.7 139.3 88.7 35 1042 A D H > S+ 0 0 120 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.605 109.1 57.8 -75.9 -9.7 51.6 142.5 90.7 36 1043 A K H > S+ 0 0 135 -3,-0.3 4,-0.8 2,-0.2 -1,-0.2 0.803 107.8 47.7 -83.4 -32.7 48.0 143.0 91.7 37 1044 A L H X S+ 0 0 25 -4,-1.3 4,-0.5 2,-0.2 3,-0.5 0.907 112.7 48.2 -69.4 -44.8 48.2 139.5 93.3 38 1045 A I H >< S+ 0 0 34 -4,-2.0 3,-0.7 1,-0.2 6,-0.2 0.837 108.1 55.4 -64.7 -34.4 51.5 140.4 95.0 39 1046 A A H 3< S+ 0 0 69 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.736 99.6 60.9 -71.6 -24.1 50.0 143.7 96.3 40 1047 A G H 3< S+ 0 0 52 -4,-0.8 -1,-0.2 -3,-0.5 -2,-0.2 0.669 105.2 49.3 -76.8 -18.1 47.1 141.8 97.9 41 1048 A V X< + 0 0 8 -3,-0.7 3,-1.8 -4,-0.5 -1,-0.3 -0.684 62.6 165.2-122.3 74.7 49.6 139.9 100.1 42 1049 A P T > S+ 0 0 84 0, 0.0 3,-2.0 0, 0.0 4,-0.3 0.837 71.6 70.5 -58.0 -35.0 51.9 142.6 101.6 43 1050 A E T >> S+ 0 0 100 1,-0.3 3,-1.1 2,-0.2 4,-0.9 0.620 75.9 85.5 -58.8 -13.5 53.1 140.1 104.2 44 1051 A L H <> S+ 0 0 2 -3,-1.8 4,-1.8 1,-0.3 3,-0.5 0.859 79.0 64.3 -56.7 -34.9 54.9 138.3 101.3 45 1052 A A H <4 S+ 0 0 59 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.824 93.1 60.2 -59.2 -35.1 57.8 140.8 101.9 46 1053 A D H <4 S+ 0 0 114 -3,-1.1 -1,-0.2 -4,-0.3 -2,-0.2 0.901 108.0 45.5 -60.2 -41.9 58.5 139.3 105.3 47 1054 A L H < S- 0 0 32 -4,-0.9 -44,-0.4 -3,-0.5 2,-0.3 0.892 124.9 -40.9 -70.5 -45.2 59.1 135.9 103.8 48 1055 A A < - 0 0 3 -4,-1.8 2,-0.8 -46,-0.2 -44,-0.2 -0.975 63.6 -70.8-169.9 179.6 61.3 136.9 100.8 49 1056 A N E -a 4 0A 77 -46,-2.8 -44,-2.6 -2,-0.3 2,-0.4 -0.832 56.1-163.1 -88.9 109.8 62.3 139.2 98.0 50 1057 A V E -a 5 0A 39 -2,-0.8 2,-0.4 -46,-0.2 -44,-0.2 -0.854 15.5-170.4-108.4 133.3 59.6 138.5 95.4 51 1058 A R E -a 6 0A 94 -46,-2.1 -44,-2.9 -2,-0.4 2,-0.3 -0.957 16.6-141.4-117.5 132.5 59.5 139.4 91.7 52 1059 A G E +a 7 0A 37 -2,-0.4 2,-0.4 -46,-0.2 -44,-0.2 -0.766 18.5 179.0 -99.9 143.2 56.4 139.0 89.6 53 1060 A E E -a 8 0A 47 -46,-2.2 -44,-2.8 -2,-0.3 2,-0.9 -0.963 20.1-149.0-145.5 122.5 56.2 137.7 86.0 54 1061 A Q E +a 9 0A 73 -2,-0.4 -44,-0.2 -46,-0.2 3,-0.1 -0.803 22.6 168.0 -93.1 104.1 53.1 137.3 83.8 55 1062 A V E - 0 0 29 -46,-2.1 2,-0.3 -2,-0.9 -45,-0.2 0.858 69.3 -23.9 -81.6 -37.9 53.9 134.4 81.4 56 1063 A M E - 0 0 18 -47,-1.5 -1,-0.3 2,-0.1 2,-0.2 -0.958 49.2-134.4-165.4 164.6 50.3 134.0 80.2 57 1064 A Q E + 0 0 72 -2,-0.3 -46,-0.3 -3,-0.1 2,-0.3 -0.658 53.9 134.9-130.4 75.3 46.7 134.8 81.3 58 1065 A I E -a 11 0A 43 -48,-2.5 -46,-1.0 -2,-0.2 2,-0.6 -0.801 61.1-112.0-126.3 165.1 44.7 131.6 80.6 59 1066 A A > - 0 0 24 -2,-0.3 3,-2.7 -48,-0.2 526,-0.2 -0.865 36.7-131.7 -92.4 118.9 42.1 129.3 82.0 60 1067 A S G > S+ 0 0 2 -2,-0.6 3,-1.4 1,-0.3 -1,-0.1 0.652 101.6 68.1 -47.6 -26.2 44.0 126.0 82.6 61 1068 A E G 3 S+ 0 0 13 1,-0.3 -1,-0.3 522,-0.1 496,-0.2 0.720 101.0 51.6 -69.7 -15.9 41.4 123.8 80.9 62 1069 A S G < S+ 0 0 22 -3,-2.7 -1,-0.3 522,-0.1 -2,-0.2 0.026 83.1 132.3-106.0 23.1 42.4 125.6 77.6 63 1070 A I < - 0 0 8 -3,-1.4 493,-2.1 -5,-0.1 2,-0.3 -0.454 39.9-154.8 -76.7 148.7 46.1 125.0 78.0 64 1071 A T >> - 0 0 22 491,-0.2 4,-1.7 -2,-0.1 3,-0.7 -0.808 31.0-105.4-121.7 165.0 48.1 123.6 75.0 65 1072 A N H 3> S+ 0 0 16 -2,-0.3 4,-1.6 1,-0.3 5,-0.1 0.812 121.4 54.0 -57.2 -32.3 51.4 121.6 74.6 66 1073 A D H 3> S+ 0 0 121 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.814 102.9 55.5 -72.8 -32.9 53.1 124.7 73.5 67 1074 A D H <> S+ 0 0 25 -3,-0.7 4,-2.3 2,-0.2 5,-0.2 0.893 107.0 52.2 -64.9 -38.2 52.1 126.6 76.7 68 1075 A L H X S+ 0 0 8 -4,-1.7 4,-2.8 1,-0.2 -2,-0.2 0.902 110.4 46.6 -62.6 -45.1 53.7 123.8 78.6 69 1076 A L H X S+ 0 0 14 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.867 111.2 51.9 -65.9 -38.6 57.0 124.1 76.7 70 1077 A K H X S+ 0 0 94 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.947 115.4 40.6 -62.0 -51.4 57.0 127.9 77.1 71 1078 A L H X S+ 0 0 3 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.920 114.0 54.0 -64.0 -44.8 56.5 127.7 80.9 72 1079 A G H X S+ 0 0 0 -4,-2.8 4,-1.4 -5,-0.2 -1,-0.2 0.827 112.5 43.7 -59.9 -34.8 58.9 124.8 81.1 73 1080 A K H X S+ 0 0 76 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.838 111.2 52.5 -79.9 -36.0 61.6 126.8 79.4 74 1081 A R H X S+ 0 0 63 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.866 110.6 50.1 -67.0 -34.5 61.0 130.0 81.3 75 1082 A V H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.919 108.0 52.6 -68.8 -42.7 61.3 128.0 84.5 76 1083 A A H X S+ 0 0 10 -4,-1.4 4,-1.4 1,-0.2 -2,-0.2 0.889 108.3 50.9 -59.5 -42.9 64.6 126.4 83.3 77 1084 A E H X S+ 0 0 117 -4,-1.9 4,-0.6 1,-0.2 3,-0.2 0.899 112.7 45.4 -61.5 -45.4 66.1 129.9 82.6 78 1085 A L H >< S+ 0 0 10 -4,-1.7 3,-0.7 1,-0.2 -2,-0.2 0.861 108.3 58.2 -67.4 -34.6 65.1 131.1 86.1 79 1086 A A H 3< S+ 0 0 6 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.793 104.3 50.8 -65.7 -32.1 66.5 128.0 87.7 80 1087 A D H 3< S+ 0 0 100 -4,-1.4 2,-0.2 -3,-0.2 -1,-0.2 0.608 91.4 95.1 -81.8 -15.3 69.9 128.5 86.2 81 1088 A S X< - 0 0 43 -3,-0.7 3,-0.9 -4,-0.6 -3,-0.0 -0.573 68.3-146.7 -78.3 139.8 70.2 132.1 87.5 82 1089 A N T 3 S+ 0 0 154 -2,-0.2 -1,-0.1 1,-0.2 -4,-0.0 0.544 96.5 68.9 -82.1 -7.5 71.9 132.6 90.8 83 1090 A D T 3 S+ 0 0 79 -5,-0.1 2,-0.4 -80,-0.0 -1,-0.2 0.349 91.5 73.6 -90.0 5.3 69.5 135.5 91.5 84 1091 A V < + 0 0 0 -3,-0.9 -79,-0.2 -6,-0.2 3,-0.1 -0.983 45.7 164.9-124.2 125.3 66.7 133.0 91.9 85 1092 A D S S+ 0 0 59 -81,-3.1 2,-0.3 -2,-0.4 -80,-0.2 0.726 70.5 11.5-105.4 -35.9 66.3 130.7 94.9 86 1093 A G E -b 5 0A 0 -82,-1.5 -80,-1.9 25,-0.2 2,-0.5 -0.994 63.1-142.7-145.9 152.0 62.8 129.4 94.5 87 1094 A I E -bc 6 113A 0 25,-3.1 27,-3.2 -2,-0.3 2,-0.5 -0.962 10.5-170.9-124.9 123.8 60.0 129.5 91.9 88 1095 A V E -bc 7 114A 0 -82,-2.8 -80,-3.7 -2,-0.5 2,-0.5 -0.943 4.7-166.2-112.6 131.3 56.3 129.9 92.5 89 1096 A I E -bc 8 115A 0 25,-2.7 27,-2.7 -2,-0.5 2,-0.5 -0.965 11.2-150.1-121.3 114.4 53.8 129.4 89.6 90 1097 A T E +bc 9 116A 1 -82,-1.0 -80,-1.5 -2,-0.5 2,-0.3 -0.759 32.7 171.0 -81.8 123.9 50.1 130.5 90.0 91 1098 A H - 0 0 3 25,-2.6 27,-0.2 -2,-0.5 -78,-0.2 -0.994 40.0 -97.0-141.5 144.5 48.1 128.1 87.8 92 1099 A G > - 0 0 0 -2,-0.3 3,-0.7 -34,-0.2 4,-0.4 -0.332 34.2-130.3 -58.6 135.6 44.5 127.3 87.2 93 1100 A T G >> S+ 0 0 0 25,-0.4 3,-0.7 1,-0.2 4,-0.5 0.767 93.2 77.2 -60.7 -29.6 43.4 124.3 89.3 94 1101 A D G 34 S+ 0 0 1 569,-1.8 485,-0.4 1,-0.3 -1,-0.2 0.859 116.3 10.6 -51.3 -48.8 41.8 122.4 86.4 95 1102 A T G X> S+ 0 0 0 -3,-0.7 4,-2.0 568,-0.4 3,-0.8 0.101 93.9 113.8-120.8 22.3 45.0 121.1 84.8 96 1103 A L H <> S+ 0 0 0 -3,-0.7 4,-2.9 -4,-0.4 5,-0.2 0.874 75.2 57.2 -60.0 -39.2 47.4 122.1 87.6 97 1104 A E H 3X S+ 0 0 1 -4,-0.5 4,-1.1 1,-0.2 -1,-0.3 0.771 107.1 49.2 -63.6 -27.8 48.1 118.4 88.3 98 1105 A E H <> S+ 0 0 4 -3,-0.8 4,-2.1 2,-0.2 -2,-0.2 0.937 114.5 42.1 -77.2 -49.4 49.2 117.9 84.7 99 1106 A T H X S+ 0 0 1 -4,-2.0 4,-2.6 1,-0.2 5,-0.3 0.923 112.2 54.5 -63.1 -46.9 51.6 120.9 84.6 100 1107 A A H X S+ 0 0 0 -4,-2.9 4,-1.3 1,-0.2 -1,-0.2 0.880 111.6 45.0 -55.9 -40.0 53.0 120.2 88.0 101 1108 A Y H X S+ 0 0 0 -4,-1.1 4,-1.2 -5,-0.2 -1,-0.2 0.870 109.6 55.4 -72.4 -36.4 53.9 116.6 86.9 102 1109 A F H >X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 3,-1.0 0.964 110.5 45.1 -59.1 -51.8 55.4 117.8 83.6 103 1110 A L H 3X S+ 0 0 1 -4,-2.6 4,-1.7 1,-0.3 -1,-0.2 0.798 106.9 59.9 -61.9 -32.7 57.7 120.2 85.5 104 1111 A N H 3< S+ 0 0 5 -4,-1.3 97,-2.6 -5,-0.3 -1,-0.3 0.767 112.5 40.4 -66.1 -27.0 58.6 117.4 88.0 105 1112 A L H << S+ 0 0 0 -4,-1.2 101,-0.5 -3,-1.0 -2,-0.2 0.801 123.3 32.8 -92.0 -35.0 59.8 115.3 85.0 106 1113 A V H < S+ 0 0 0 -4,-2.0 102,-2.5 -5,-0.1 2,-0.9 0.542 89.3 93.2-105.6 -7.7 61.7 117.9 82.9 107 1114 A Q < - 0 0 3 -4,-1.7 2,-1.8 -5,-0.2 97,-0.1 -0.781 56.9-159.2 -93.3 106.4 63.2 120.5 85.3 108 1115 A K + 0 0 102 -2,-0.9 2,-0.3 94,-0.1 94,-0.1 -0.541 54.7 98.4 -82.7 75.0 66.8 119.4 86.1 109 1116 A T - 0 0 15 -2,-1.8 93,-0.5 2,-0.1 40,-0.1 -0.989 62.5-147.7-158.3 151.8 67.1 121.5 89.3 110 1117 A D + 0 0 70 -2,-0.3 37,-1.5 91,-0.1 38,-0.3 0.432 67.3 113.1-100.7 -2.7 66.9 121.0 93.1 111 1118 A K S S- 0 0 28 35,-0.2 -25,-0.2 1,-0.1 -2,-0.1 -0.459 83.3 -91.1 -68.3 140.8 65.7 124.6 93.6 112 1119 A P - 0 0 4 0, 0.0 -25,-3.1 0, 0.0 2,-0.5 -0.267 40.2-172.5 -58.5 130.5 62.1 124.6 94.9 113 1120 A I E -c 87 0A 3 36,-0.5 38,-2.6 32,-0.2 2,-0.5 -0.988 8.7-176.6-126.3 113.2 59.3 124.8 92.3 114 1121 A V E -cd 88 151A 0 -27,-3.2 -25,-2.7 -2,-0.5 2,-0.5 -0.969 11.5-160.7-119.4 123.5 55.9 125.3 93.8 115 1122 A V E +cd 89 152A 0 36,-2.6 38,-1.0 -2,-0.5 2,-0.3 -0.860 19.2 177.4-102.1 132.7 52.7 125.3 91.8 116 1123 A V E +c 90 0A 3 -27,-2.7 -25,-2.6 -2,-0.5 2,-0.2 -0.981 11.6 155.7-139.6 150.1 49.7 127.0 93.5 117 1124 A G - 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0 0 5 -3,-1.6 2,-0.2 168,-0.2 -1,-0.2 -0.397 18.5-158.0 -71.4 145.0 32.1 101.1 74.8 227 1234 A T - 0 0 50 -2,-0.1 3,-0.3 29,-0.1 4,-0.3 -0.676 30.9-107.7-114.9 174.7 33.2 100.7 71.2 228 1235 A D S > S+ 0 0 43 -2,-0.2 4,-2.5 27,-0.2 5,-0.3 0.452 87.6 108.0 -82.7 1.6 36.5 101.3 69.5 229 1236 A T H > S+ 0 0 23 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.883 80.0 38.0 -43.9 -63.0 35.2 104.5 67.8 230 1237 A A H > S+ 0 0 11 -3,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.834 114.5 57.5 -63.2 -33.0 37.1 107.2 69.8 231 1238 A Y H > S+ 0 0 4 -4,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.937 113.1 38.0 -62.6 -49.7 40.2 105.0 70.0 232 1239 A K H X S+ 0 0 85 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.933 115.2 54.2 -67.9 -45.8 40.5 104.7 66.2 233 1240 A A H X S+ 0 0 8 -4,-2.7 4,-1.0 -5,-0.3 -2,-0.2 0.918 110.5 46.1 -54.0 -48.7 39.4 108.3 65.6 234 1241 A L H <>S+ 0 0 2 -4,-2.5 5,-2.1 1,-0.2 -1,-0.2 0.872 114.0 48.6 -62.4 -40.5 42.1 109.7 68.0 235 1242 A A H ><5S+ 0 0 19 -4,-1.6 3,-1.2 1,-0.2 -2,-0.2 0.867 109.1 52.5 -67.6 -39.6 44.7 107.4 66.3 236 1243 A Q H 3<5S+ 0 0 152 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.711 106.6 56.7 -69.3 -21.6 43.7 108.5 62.8 237 1244 A N T 3<5S- 0 0 95 -4,-1.0 -1,-0.2 -5,-0.2 -2,-0.2 0.217 133.1 -75.9 -97.9 17.0 44.0 112.1 63.9 238 1245 A G T < 5S+ 0 0 22 -3,-1.2 -22,-0.3 1,-0.3 2,-0.3 0.352 72.5 153.7 114.5 -9.3 47.7 112.0 65.0 239 1246 A A < - 0 0 3 -5,-2.1 -1,-0.3 1,-0.2 -22,-0.2 -0.385 20.3-174.5 -61.1 118.3 47.8 110.2 68.4 240 1247 A K S S+ 0 0 108 -24,-2.9 29,-2.3 -2,-0.3 2,-0.3 0.653 78.2 17.5 -84.1 -19.5 51.2 108.6 68.9 241 1248 A A E S-kl 217 269F 0 -25,-0.7 -23,-2.1 27,-0.3 2,-0.4 -0.983 70.7-148.1-151.9 143.8 50.0 107.0 72.1 242 1249 A L E -kl 218 270F 2 27,-2.6 29,-2.3 -2,-0.3 2,-0.7 -0.981 9.4-145.6-119.0 129.5 46.5 106.4 73.5 243 1250 A I E -kl 219 271F 0 -25,-3.0 -23,-2.2 -2,-0.4 2,-0.8 -0.883 15.7-149.7 -94.4 112.5 45.8 106.4 77.2 244 1251 A H E -kl 220 272F 2 27,-3.0 29,-3.1 -2,-0.7 2,-1.5 -0.814 4.9-160.9 -86.1 109.2 43.2 103.9 77.9 245 1252 A A E -kl 221 273F 0 -25,-2.8 -23,-2.3 -2,-0.8 29,-0.3 -0.612 30.0-178.8 -90.2 74.1 41.1 105.0 80.9 246 1253 A G E - l 0 274F 0 -2,-1.5 29,-2.2 27,-1.0 4,-0.2 -0.050 31.2 -99.1 -75.4 170.1 39.7 101.6 81.6 247 1254 A T B > S-N 251 0G 1 4,-0.7 4,-2.1 27,-0.2 178,-0.1 -0.576 87.1 -18.3 -81.8 153.2 37.2 100.3 84.2 248 1255 A G T 4 S+ 0 0 0 177,-0.4 2,-2.3 1,-0.2 28,-0.2 -0.119 137.1 4.3 51.6-137.0 38.8 98.6 87.2 249 1256 A N T 4 S- 0 0 18 1,-0.2 38,-0.4 25,-0.1 -1,-0.2 -0.298 124.6 -70.6 -78.1 56.2 42.4 97.4 86.8 250 1257 A G T 4 S+ 0 0 0 -2,-2.3 -1,-0.2 -4,-0.2 -2,-0.2 0.786 80.4 179.3 61.0 29.7 42.8 99.0 83.3 251 1258 A S B < -N 247 0G 0 -4,-2.1 -4,-0.7 21,-0.1 2,-0.4 -0.226 17.3-147.9 -63.4 151.0 40.4 96.3 81.9 252 1259 A V - 0 0 1 35,-0.3 141,-0.1 -6,-0.1 140,-0.1 -0.985 19.4-114.7-125.7 129.2 39.5 96.4 78.2 253 1260 A S >> - 0 0 2 -2,-0.4 3,-2.2 139,-0.2 4,-1.4 -0.348 26.9-118.9 -60.3 139.7 36.2 95.2 76.7 254 1261 A S T 34 S+ 0 0 73 1,-0.3 -1,-0.1 2,-0.2 139,-0.1 0.707 114.8 57.5 -52.1 -21.9 36.5 92.1 74.5 255 1262 A R T 34 S+ 0 0 105 1,-0.2 -1,-0.3 -29,-0.1 4,-0.3 0.703 107.5 44.0 -82.9 -24.3 35.1 94.3 71.7 256 1263 A V T <> S+ 0 0 0 -3,-2.2 4,-2.0 2,-0.1 -2,-0.2 0.610 94.0 82.6 -96.3 -12.9 37.9 97.0 71.9 257 1264 A V H X S+ 0 0 23 -4,-1.4 4,-2.2 1,-0.2 5,-0.2 0.928 88.2 49.3 -57.9 -55.6 40.8 94.5 72.2 258 1265 A P H > S+ 0 0 56 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.851 111.9 50.6 -56.1 -33.5 41.3 93.7 68.5 259 1266 A A H > S+ 0 0 4 -4,-0.3 4,-2.5 2,-0.2 5,-0.2 0.913 108.8 50.3 -70.0 -43.0 41.3 97.4 67.6 260 1267 A L H X S+ 0 0 0 -4,-2.0 4,-1.2 1,-0.2 -1,-0.2 0.873 110.5 51.5 -62.0 -37.1 43.9 98.1 70.3 261 1268 A Q H X S+ 0 0 71 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.917 110.6 47.2 -65.5 -44.2 46.0 95.3 68.9 262 1269 A Q H X S+ 0 0 86 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.889 111.0 51.0 -65.4 -39.7 45.8 96.7 65.3 263 1270 A L H <>S+ 0 0 19 -4,-2.5 5,-2.8 1,-0.2 -1,-0.2 0.781 108.7 54.1 -68.1 -25.4 46.7 100.2 66.5 264 1271 A R H ><5S+ 0 0 38 -4,-1.2 3,-2.0 3,-0.2 -2,-0.2 0.924 106.1 49.7 -73.9 -46.0 49.7 98.7 68.3 265 1272 A K H 3<5S+ 0 0 158 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.877 107.0 57.5 -59.7 -34.6 51.0 97.0 65.2 266 1273 A N T 3<5S- 0 0 131 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.413 127.7-100.4 -75.7 -0.7 50.6 100.4 63.4 267 1274 A G T < 5S+ 0 0 29 -3,-2.0 2,-0.5 1,-0.3 -3,-0.2 0.566 76.0 137.5 96.0 7.8 52.9 101.9 66.0 268 1275 A T < - 0 0 13 -5,-2.8 -1,-0.3 -6,-0.1 -27,-0.3 -0.792 54.4-125.9 -89.1 124.1 50.5 103.6 68.5 269 1276 A Q E -l 241 0F 0 -29,-2.3 -27,-2.6 -2,-0.5 2,-0.7 -0.536 18.1-148.1 -70.4 132.5 51.6 103.0 72.0 270 1277 A I E -l 242 0F 1 24,-0.3 26,-3.0 -2,-0.2 2,-0.6 -0.913 15.9-175.3-107.7 108.0 48.8 101.5 74.2 271 1278 A I E -lm 243 296F 0 -29,-2.3 -27,-3.0 -2,-0.7 2,-0.7 -0.914 15.7-145.7-108.0 113.2 49.0 102.6 77.8 272 1279 A R E +lm 244 297F 0 24,-3.3 26,-3.0 -2,-0.6 27,-0.2 -0.716 35.3 148.2 -84.4 112.3 46.5 101.0 80.2 273 1280 A S E -l 245 0F 0 -29,-3.1 -27,-1.0 -2,-0.7 2,-0.3 -0.326 29.2-138.6-118.4-158.6 45.3 103.4 82.9 274 1281 A S E -l 246 0F 5 27,-0.3 -27,-0.2 -29,-0.3 -28,-0.1 -0.984 24.4-121.7-162.5 168.7 41.9 103.6 84.7 275 1282 A H S S+ 0 0 10 -29,-2.2 2,-0.5 -2,-0.3 -27,-0.1 -0.212 87.5 97.5-109.1 38.5 39.1 105.8 86.1 276 1283 A V + 0 0 5 -28,-0.2 224,-0.3 -30,-0.1 3,-0.2 -0.827 48.7 156.2-124.3 78.7 39.6 104.2 89.5 277 1284 A N + 0 0 56 -2,-0.5 222,-0.2 1,-0.2 -99,-0.1 0.030 42.0 81.3-105.4 26.0 41.7 107.1 90.8 278 1285 A Q S S- 0 0 53 220,-2.9 2,-0.3 1,-0.3 221,-0.2 0.733 105.2 -29.9 -99.2 -26.3 41.5 107.1 94.7 279 1286 A G B S+o 499 0H 8 219,-1.0 221,-2.3 -3,-0.2 -1,-0.3 -0.984 94.7 51.7-174.4 176.7 44.0 104.4 95.3 280 1287 A G - 0 0 9 -2,-0.3 2,-0.3 219,-0.2 221,-0.1 -0.241 65.3-112.3 74.6-169.3 45.7 101.2 94.1 281 1288 A F - 0 0 62 -8,-0.0 2,-0.5 218,-0.0 19,-0.3 -0.975 23.2 -89.7-157.1 165.6 47.3 100.8 90.7 282 1289 A V - 0 0 3 17,-3.8 17,-0.4 -2,-0.3 2,-0.4 -0.747 42.9-143.0 -85.9 124.6 47.0 99.0 87.4 283 1290 A L >> - 0 0 53 -2,-0.5 3,-1.2 -34,-0.1 4,-0.5 -0.737 16.1-115.4 -92.0 133.4 49.0 95.7 87.5 284 1291 A R T 34 S+ 0 0 39 -2,-0.4 -1,-0.0 1,-0.2 12,-0.0 -0.431 94.8 4.1 -69.4 136.3 50.9 94.4 84.4 285 1292 A N T 34 S+ 0 0 54 3,-0.4 -1,-0.2 -2,-0.1 7,-0.0 0.496 104.1 103.7 67.3 10.6 49.6 91.2 82.8 286 1293 A A T <4 S+ 0 0 14 -3,-1.2 72,-0.3 -37,-0.1 -2,-0.1 0.970 92.8 14.3 -82.2 -70.0 46.6 91.0 85.2 287 1294 A E S < S+ 0 0 37 -4,-0.5 -35,-0.3 -38,-0.4 -3,-0.1 0.710 139.1 19.2 -80.3 -20.2 43.5 92.1 83.3 288 1295 A Q S S- 0 0 25 -37,-0.1 2,-2.0 0, 0.0 -3,-0.4 -0.989 84.0-105.3-149.3 150.1 45.3 91.8 79.9 289 1296 A P > + 0 0 55 0, 0.0 4,-2.5 0, 0.0 5,-0.2 -0.533 42.1 171.7 -80.6 81.3 48.3 90.0 78.4 290 1297 A D H >>S+ 0 0 0 -2,-2.0 5,-2.0 1,-0.2 4,-0.9 0.795 75.5 55.4 -58.8 -32.1 50.5 93.1 78.1 291 1298 A D H 45S+ 0 0 102 3,-0.2 3,-0.3 2,-0.2 -1,-0.2 0.938 110.5 43.4 -67.5 -49.0 53.5 91.0 77.3 292 1299 A K H 45S+ 0 0 179 1,-0.2 -2,-0.2 2,-0.1 -1,-0.2 0.936 122.1 38.2 -62.4 -46.9 51.8 89.3 74.4 293 1300 A N H <5S- 0 0 23 -4,-2.5 -1,-0.2 2,-0.0 -2,-0.2 0.525 104.9-125.7 -83.0 -7.7 50.2 92.5 73.0 294 1301 A D T <5 + 0 0 35 -4,-0.9 -24,-0.3 -3,-0.3 2,-0.2 0.913 57.1 151.8 59.6 46.4 53.3 94.7 73.8 295 1302 A W < - 0 0 1 -5,-2.0 2,-0.3 -6,-0.1 -1,-0.2 -0.618 40.0-127.7-103.0 164.8 51.2 97.2 75.8 296 1303 A V E -m 271 0F 0 -26,-3.0 -24,-3.3 -2,-0.2 2,-0.4 -0.879 10.6-142.1-115.6 144.8 52.2 99.4 78.7 297 1304 A V E -m 272 0F 0 -2,-0.3 -24,-0.2 -26,-0.2 3,-0.1 -0.907 8.9-143.4-108.2 132.7 50.5 99.7 82.1 298 1305 A A > - 0 0 0 -26,-3.0 3,-1.7 -2,-0.4 2,-0.2 0.336 26.5-152.2 -78.5 8.1 50.3 103.2 83.8 299 1306 A H T 3 - 0 0 39 -17,-0.4 -17,-3.8 1,-0.3 -1,-0.2 -0.392 68.5 -20.7 58.9-118.0 50.9 101.9 87.3 300 1307 A D T 3 S+ 0 0 31 -19,-0.3 -1,-0.3 27,-0.3 2,-0.1 0.521 105.9 115.0 -99.3 -9.4 49.1 104.3 89.8 301 1308 A L < - 0 0 7 -3,-1.7 -27,-0.3 26,-0.2 -19,-0.1 -0.386 63.1-129.7 -68.2 135.6 48.9 107.3 87.5 302 1309 A N > - 0 0 13 -29,-0.1 4,-2.6 -2,-0.1 5,-0.2 -0.206 38.2 -88.0 -72.4 175.9 45.5 108.5 86.5 303 1310 A P H > S+ 0 0 0 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.910 126.9 43.8 -53.3 -53.7 44.7 109.1 82.7 304 1311 A E H > S+ 0 0 1 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.836 115.8 49.4 -63.9 -32.7 45.9 112.8 82.5 305 1312 A K H > S+ 0 0 2 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.885 110.4 50.1 -71.9 -41.2 49.0 112.0 84.6 306 1313 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.827 106.3 57.5 -66.4 -31.3 49.8 109.0 82.3 307 1314 A R H X S+ 0 0 2 -4,-1.9 4,-2.6 -5,-0.2 -1,-0.2 0.948 106.5 47.5 -63.7 -49.5 49.4 111.2 79.3 308 1315 A I H X S+ 0 0 0 -4,-1.6 4,-2.2 1,-0.2 5,-0.2 0.910 113.1 47.5 -58.4 -46.1 52.1 113.6 80.5 309 1316 A L H X S+ 0 0 0 -4,-2.0 4,-2.8 1,-0.2 -1,-0.2 0.908 112.3 50.8 -63.6 -40.4 54.5 110.8 81.3 310 1317 A A H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.927 109.2 50.4 -61.3 -48.9 53.9 109.2 77.9 311 1318 A M H < S+ 0 0 0 -4,-2.6 4,-0.3 1,-0.2 -2,-0.2 0.972 115.9 41.2 -52.5 -59.4 54.5 112.5 76.1 312 1319 A V H >< S+ 0 0 0 -4,-2.2 3,-1.3 1,-0.2 4,-0.2 0.892 115.3 50.5 -57.1 -46.9 57.8 113.2 77.8 313 1320 A A H >X S+ 0 0 0 -4,-2.8 3,-2.2 1,-0.3 4,-1.6 0.898 102.6 60.4 -60.5 -44.5 59.0 109.6 77.7 314 1321 A M T 3< S+ 0 0 25 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.503 89.4 70.1 -66.1 -3.9 58.3 109.2 74.0 315 1322 A T T <4 S+ 0 0 55 -3,-1.3 -1,-0.3 -4,-0.3 -2,-0.2 0.574 112.6 31.5 -85.0 -9.2 60.7 112.1 73.2 316 1323 A K T <4 S+ 0 0 103 -3,-2.2 2,-0.3 1,-0.3 -2,-0.2 0.651 129.1 7.9-116.0 -31.0 63.5 109.6 74.2 317 1324 A T < - 0 0 26 -4,-1.6 -1,-0.3 1,-0.1 0, 0.0 -0.998 31.3-168.2-156.9 154.0 62.1 106.1 73.3 318 1325 A Q + 0 0 103 -2,-0.3 2,-0.5 -3,-0.1 -4,-0.1 0.129 59.4 120.4-123.2 8.7 59.4 104.3 71.4 319 1326 A D > - 0 0 76 1,-0.2 4,-2.2 2,-0.0 5,-0.1 -0.696 58.2-149.1 -77.9 121.4 60.5 101.0 73.0 320 1327 A S H > S+ 0 0 5 -2,-0.5 4,-1.8 1,-0.2 -1,-0.2 0.818 95.6 53.0 -63.1 -34.5 57.5 99.6 74.9 321 1328 A K H > S+ 0 0 110 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.874 110.8 46.6 -70.3 -35.9 59.7 97.9 77.5 322 1329 A E H > S+ 0 0 67 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.877 110.8 54.3 -70.1 -38.7 61.6 101.1 78.1 323 1330 A L H X S+ 0 0 0 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.855 107.2 50.0 -61.4 -38.0 58.3 102.9 78.4 324 1331 A Q H X S+ 0 0 6 -4,-1.8 4,-0.7 2,-0.2 -1,-0.2 0.869 108.5 52.5 -68.8 -38.4 57.1 100.4 81.0 325 1332 A R H >X S+ 0 0 55 -4,-1.6 3,-0.9 1,-0.2 4,-0.8 0.925 108.4 51.0 -61.3 -47.4 60.3 100.9 83.0 326 1333 A I H >X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.3 3,-0.7 0.870 107.6 52.2 -58.8 -40.3 59.7 104.7 83.0 327 1334 A F H 3< S+ 0 0 0 -4,-1.6 -27,-0.3 1,-0.2 -1,-0.3 0.644 111.0 49.4 -71.5 -16.2 56.1 104.3 84.2 328 1335 A W H << S+ 0 0 114 -3,-0.9 -1,-0.2 -4,-0.7 -2,-0.2 0.555 117.2 39.3 -97.2 -11.0 57.5 102.2 87.1 329 1336 A E H << 0 0 71 -4,-0.8 -130,-2.6 -3,-0.7 -2,-0.2 0.635 360.0 360.0-113.1 -20.9 60.2 104.7 88.1 330 1337 A Y < 0 0 0 -4,-2.0 -3,-0.1 -132,-0.2 -2,-0.1 0.426 360.0 360.0-112.1 360.0 58.6 108.1 87.7 331 !* 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 0.0 332 3008 B K 0 0 215 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-156.2 9.8 82.1 108.5 333 3009 B L - 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