==== 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 04-MAR-00 1EJR . COMPND 2 MOLECULE: UREASE ALPHA SUBUNIT; . SOURCE 2 ORGANISM_SCIENTIFIC: KLEBSIELLA AEROGENES; . AUTHOR M.A.PEARSON,I.S.PARK,R.A.SCHALLER,L.O.MICHEL,P.A.KARPLUS, . 754 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28502.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 515 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 63 8.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 88 11.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 7 0.9 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 . 1 0.1 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 . 55 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 94 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 155 20.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.9 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 2 3 1 2 3 2 1 0 1 1 1 0 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 4 3 3 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 PARALLEL BRIDGES PER LADDER . 1 4 6 3 1 0 1 2 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 . 5 3 1 2 0 0 0 0 0 1 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 1002 C S 0 0 49 0, 0.0 569,-3.1 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 148.7 46.8 82.2 122.5 2 1003 C N E -A 569 0A 91 567,-0.2 2,-0.3 617,-0.0 567,-0.2 -0.874 360.0-170.5-129.2 162.5 48.1 85.8 121.9 3 1004 C I E -A 568 0A 16 565,-1.5 565,-3.2 -2,-0.3 2,-0.1 -0.973 31.3-107.2-152.8 138.6 51.3 87.2 120.5 4 1005 C S E > -A 567 0A 50 -2,-0.3 4,-2.4 563,-0.3 563,-0.3 -0.392 28.7-119.6 -67.5 152.0 52.5 90.8 120.5 5 1006 C R H > S+ 0 0 26 561,-2.3 4,-2.4 1,-0.2 562,-0.1 0.813 112.6 53.4 -62.8 -30.4 52.4 92.6 117.1 6 1007 C Q H > S+ 0 0 96 560,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.944 110.8 44.4 -70.5 -46.6 56.2 93.2 117.3 7 1008 C A H > S+ 0 0 33 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.896 113.7 52.7 -63.3 -38.6 57.0 89.5 117.9 8 1009 C Y H X>S+ 0 0 0 -4,-2.4 4,-3.3 1,-0.2 5,-0.6 0.951 108.2 49.5 -61.0 -49.5 54.6 88.6 115.2 9 1010 C A H X5S+ 0 0 2 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.882 110.5 50.5 -58.2 -40.6 56.2 90.9 112.7 10 1011 C D H <5S+ 0 0 118 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.837 117.9 40.1 -66.8 -32.0 59.7 89.5 113.5 11 1012 C M H <5S+ 0 0 59 -4,-1.7 -2,-0.2 -3,-0.3 -1,-0.2 0.900 135.3 10.8 -85.4 -45.6 58.4 86.0 113.0 12 1013 C F H <5S- 0 0 1 -4,-3.3 110,-0.4 1,-0.4 -3,-0.2 0.419 107.4-103.3-118.0 2.3 56.1 86.2 110.0 13 1014 C G << - 0 0 1 -4,-1.7 -1,-0.4 -5,-0.6 -2,-0.1 -0.238 61.8 -38.3 93.8 167.3 56.8 89.6 108.6 14 1015 C P - 0 0 4 0, 0.0 2,-0.2 0, 0.0 108,-0.1 -0.145 58.3-161.8 -63.1 159.1 54.5 92.6 109.0 15 1016 C T > - 0 0 0 1,-0.2 3,-2.6 -10,-0.1 16,-0.4 -0.677 43.6 -30.3-130.2-174.6 50.7 92.4 108.8 16 1017 C V T 3 S+ 0 0 53 1,-0.3 16,-0.2 -2,-0.2 -1,-0.2 -0.083 128.1 15.1 -43.8 123.2 47.7 94.8 108.3 17 1018 C G T 3 S+ 0 0 5 14,-1.9 -1,-0.3 1,-0.4 2,-0.2 0.148 95.5 120.9 98.1 -21.6 48.4 98.3 109.5 18 1019 C D < - 0 0 0 -3,-2.6 13,-2.5 545,-0.1 -1,-0.4 -0.496 50.7-146.9 -76.4 148.7 52.1 97.8 109.8 19 1020 C K E -BC 30 562B 45 543,-1.9 543,-2.6 11,-0.2 2,-0.4 -0.876 8.7-162.4-117.1 150.6 54.3 100.1 107.7 20 1021 C V E -BC 29 561B 0 9,-2.3 9,-2.5 -2,-0.3 2,-0.4 -0.998 18.3-130.2-135.0 133.9 57.7 99.4 106.1 21 1022 C R E -B 28 0B 17 539,-2.6 2,-0.9 -2,-0.4 7,-0.2 -0.690 26.0-125.2 -81.8 133.8 60.3 102.0 104.8 22 1023 C L > - 0 0 2 5,-2.6 3,-2.2 -2,-0.4 5,-0.4 -0.739 62.8 -60.2 -84.1 108.7 61.4 101.2 101.2 23 1024 C A T 3 S- 0 0 0 401,-2.4 536,-2.5 -2,-0.9 537,-0.3 -0.234 106.9 -33.7 52.9-135.6 65.2 101.0 101.4 24 1025 C D T 3 S+ 0 0 9 534,-0.3 -1,-0.2 403,-0.2 2,-0.1 -0.030 111.7 108.7-104.4 28.4 66.7 104.3 102.7 25 1026 C T S < S- 0 0 0 -3,-2.2 534,-0.1 2,-0.2 338,-0.1 -0.341 81.0-113.3 -92.5-178.5 64.0 106.5 101.0 26 1027 C E S S+ 0 0 77 -2,-0.1 2,-0.4 -5,-0.1 -3,-0.1 0.220 80.2 116.0 -98.0 10.5 61.2 108.4 102.7 27 1028 C L - 0 0 0 -5,-0.4 -5,-2.6 335,-0.1 2,-0.4 -0.702 45.1-171.5 -86.0 130.9 58.6 106.2 101.0 28 1029 C W E -B 21 0B 41 -2,-0.4 355,-2.9 -7,-0.2 2,-0.3 -0.978 6.5-160.3-124.9 132.2 56.5 104.1 103.4 29 1030 C I E -B 20 0B 2 -9,-2.5 -9,-2.3 -2,-0.4 2,-0.4 -0.826 7.0-150.2-108.9 151.1 54.1 101.3 102.4 30 1031 C E E -B 19 0B 46 -2,-0.3 2,-0.4 -11,-0.2 -11,-0.2 -0.987 25.7-112.2-123.4 130.5 51.4 100.1 104.7 31 1032 C V - 0 0 2 -13,-2.5 -14,-1.9 -2,-0.4 50,-0.2 -0.479 31.6-172.3 -63.1 116.0 50.1 96.5 104.6 32 1033 C E + 0 0 75 48,-2.7 2,-0.3 -2,-0.4 49,-0.2 0.830 62.8 0.9 -81.2 -34.6 46.6 96.8 103.2 33 1034 C D E -d 81 0C 87 47,-0.7 49,-2.9 -17,-0.0 2,-0.4 -0.976 53.8-152.2-152.9 158.8 45.4 93.2 103.6 34 1035 C D E -d 82 0C 19 -2,-0.3 49,-0.2 47,-0.2 -19,-0.0 -0.974 3.9-161.8-138.1 120.0 46.6 89.9 104.9 35 1036 C L + 0 0 66 47,-2.6 48,-0.1 -2,-0.4 49,-0.1 0.313 58.3 103.0 -86.6 9.0 45.2 86.7 103.5 36 1037 C T S S- 0 0 26 46,-0.2 2,-0.5 61,-0.1 -2,-0.1 -0.216 70.6-126.9 -85.8 176.4 46.3 84.4 106.4 37 1038 C T > - 0 0 36 68,-0.1 3,-3.0 -2,-0.0 4,-0.2 -0.974 41.7-112.2-123.3 105.0 44.4 82.9 109.3 38 1039 C Y T 3 S+ 0 0 64 -2,-0.5 533,-2.3 1,-0.3 534,-0.3 -0.152 103.6 23.1 -45.3 121.5 46.3 83.9 112.4 39 1040 C G T 3 S+ 0 0 0 531,-0.2 -1,-0.3 532,-0.1 579,-0.1 0.087 111.0 76.0 105.8 -19.0 47.9 80.8 114.0 40 1041 C E < + 0 0 0 -3,-3.0 -2,-0.2 580,-0.1 530,-0.0 0.217 59.9 134.9-108.5 15.5 47.8 78.9 110.7 41 1042 C E - 0 0 1 -4,-0.2 2,-0.5 1,-0.1 8,-0.1 -0.308 54.7-124.8 -63.8 143.8 50.8 80.6 108.9 42 1043 C V + 0 0 0 7,-0.1 2,-0.4 56,-0.1 -1,-0.1 -0.828 32.2 175.1 -97.1 130.2 53.1 78.1 107.2 43 1044 C K - 0 0 32 -2,-0.5 7,-1.9 2,-0.1 6,-0.9 -0.991 21.0-136.6-132.2 140.1 56.8 78.3 108.2 44 1045 C F + 0 0 127 -2,-0.4 2,-0.2 5,-0.2 7,-0.1 -0.783 51.6 74.7-101.1 143.5 59.5 75.9 107.0 45 1046 C G S > S- 0 0 22 -2,-0.3 3,-2.1 5,-0.2 2,-0.2 -0.819 83.9 -32.5 146.0 174.9 62.2 74.4 109.1 46 1047 C G T 3 S+ 0 0 80 1,-0.3 3,-0.1 -2,-0.2 5,-0.0 -0.430 129.5 1.0 -64.8 124.3 63.0 71.8 111.8 47 1048 C G T 3 S+ 0 0 25 -2,-0.2 546,-0.4 1,-0.2 -1,-0.3 0.569 110.3 119.7 74.4 11.1 60.1 71.4 114.0 48 1049 C K S < S- 0 0 64 -3,-2.1 546,-0.2 544,-0.1 -1,-0.2 -0.029 76.5 -82.9 -94.5-160.8 58.1 73.9 112.0 49 1050 C V S S+ 0 0 0 -6,-0.9 6,-2.6 1,-0.2 2,-2.1 0.907 101.3 76.2 -75.3 -47.0 54.8 73.8 110.1 50 1051 C I S S+ 0 0 9 -7,-1.9 2,-0.3 5,-0.2 -5,-0.2 -0.432 71.0 118.2 -74.1 78.9 55.6 72.5 106.6 51 1052 C R S > >S- 0 0 70 -2,-2.1 3,-2.4 -4,-0.1 5,-1.9 -0.957 73.8 -65.9-140.8 155.9 56.0 68.8 107.4 52 1053 C D B 3 5S+n 56 0D 73 -2,-0.3 596,-0.3 1,-0.3 5,-0.2 -0.096 119.9 2.4 -44.8 124.3 54.2 65.5 106.5 53 1054 C G T 3 5S+ 0 0 1 3,-1.8 593,-0.3 1,-0.2 -1,-0.3 0.224 129.2 66.0 81.9 -16.1 50.6 65.3 107.7 54 1055 C M T < 5S- 0 0 10 -3,-2.4 49,-0.3 2,-0.2 -1,-0.2 0.540 124.4 -14.5-101.5-110.7 50.9 68.8 109.2 55 1056 C G T 5S+ 0 0 0 -6,-2.6 2,-0.5 -7,-0.2 56,-0.3 0.556 130.3 69.5 -73.4 -7.8 51.4 71.8 106.8 56 1057 C Q B - 0 0 133 52,-0.1 3,-2.2 1,-0.1 4,-0.1 -0.405 39.7 -94.5 -73.1 163.7 49.8 64.0 94.2 61 1062 C A G > S+ 0 0 59 1,-0.3 3,-1.7 2,-0.2 -1,-0.1 0.820 123.8 59.0 -46.9 -42.7 51.9 66.4 92.2 62 1063 C A G 3 S+ 0 0 67 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.781 105.9 50.1 -61.8 -25.7 49.0 67.4 90.0 63 1064 C D G < S+ 0 0 109 -3,-2.2 2,-0.3 2,-0.1 -1,-0.3 0.194 109.8 50.2-101.5 14.7 47.1 68.5 93.0 64 1065 C C S < S- 0 0 1 -3,-1.7 47,-0.2 -4,-0.1 2,-0.1 -0.941 85.7 -96.1-144.9 164.4 49.7 70.7 94.6 65 1066 C V - 0 0 0 45,-2.0 47,-0.4 -2,-0.3 23,-0.2 -0.431 18.4-137.9 -81.0 157.6 52.0 73.6 93.7 66 1067 C D S S+ 0 0 65 21,-2.0 50,-3.1 1,-0.3 2,-0.3 0.790 88.6 17.7 -81.7 -32.9 55.6 73.2 92.7 67 1068 C L E -Ef 87 116C 12 20,-2.1 20,-2.9 48,-0.2 2,-0.4 -1.000 61.9-167.2-144.2 141.1 56.7 76.2 94.7 68 1069 C V E -Ef 86 117C 0 48,-1.8 50,-2.3 -2,-0.3 2,-0.7 -0.995 11.4-153.5-130.3 131.6 55.3 78.3 97.5 69 1070 C L E > -Ef 85 118C 0 16,-2.5 16,-2.3 -2,-0.4 3,-0.5 -0.957 28.3-143.7-103.1 109.5 56.6 81.6 98.6 70 1071 C T E 3 - f 0 119C 0 48,-2.1 50,-1.7 -2,-0.7 51,-0.1 -0.593 64.1 -7.2 -83.5 137.7 55.6 81.8 102.3 71 1072 C N E 3 S+ 0 0 7 -2,-0.3 51,-0.5 1,-0.2 52,-0.4 0.854 83.6 175.0 50.9 48.3 54.4 85.0 104.1 72 1073 C A E < -E 83 0C 0 11,-1.9 11,-2.4 -3,-0.5 2,-0.8 -0.520 32.8-138.5 -85.8 146.9 55.3 87.4 101.2 73 1074 C L E -Eg 82 124C 5 50,-1.7 52,-2.3 47,-0.4 2,-0.4 -0.902 27.9-152.8-103.6 99.2 54.6 91.1 101.3 74 1075 C I E -Eg 81 125C 0 7,-2.9 7,-1.1 -2,-0.8 2,-0.5 -0.617 15.1-172.2 -79.1 130.5 53.4 91.7 97.7 75 1076 C V E +E 80 0C 0 50,-2.0 52,-0.4 -2,-0.4 2,-0.3 -0.976 28.9 138.4-122.3 109.1 53.8 95.1 96.2 76 1077 C D E > -E 79 0C 0 3,-2.3 3,-1.1 -2,-0.5 316,-0.1 -0.908 68.1 -91.8-143.5 171.8 52.0 95.3 92.8 77 1078 C H T 3 S+ 0 0 29 -2,-0.3 3,-0.1 1,-0.2 311,-0.1 0.757 124.0 49.0 -59.1 -25.9 49.9 97.8 90.9 78 1079 C W T 3 S- 0 0 96 1,-0.3 2,-0.3 310,-0.0 -1,-0.2 0.581 123.1 -34.6 -92.2 -13.4 46.7 96.2 92.3 79 1080 C G E < - E 0 76C 1 -3,-1.1 -3,-2.3 305,-0.1 2,-0.5 -0.948 39.4-114.5 169.3 168.7 47.7 96.1 96.0 80 1081 C I E + E 0 75C 0 -2,-0.3 -48,-2.7 -5,-0.2 -47,-0.7 -0.916 56.6 152.8-126.7 91.0 50.2 95.8 98.8 81 1082 C V E -dE 33 74C 13 -7,-1.1 -7,-2.9 -2,-0.5 2,-0.5 -0.936 45.7-123.7-128.8 154.5 49.0 92.7 100.6 82 1083 C K E +dE 34 73C 3 -49,-2.9 -47,-2.6 -2,-0.3 2,-0.3 -0.810 53.6 126.1 -95.0 129.2 50.5 89.9 102.8 83 1084 C A E - E 0 72C 4 -11,-2.4 -11,-1.9 -2,-0.5 2,-0.3 -0.984 58.4 -94.7-171.0 169.9 49.9 86.4 101.3 84 1085 C D E -H 96 0C 4 12,-2.7 12,-2.5 -2,-0.3 2,-0.5 -0.771 36.6-143.9 -95.0 145.8 51.4 83.1 100.3 85 1086 C I E -HE 95 69C 0 -16,-2.3 -16,-2.5 -2,-0.3 2,-0.4 -0.958 8.6-156.7-116.4 128.4 52.2 82.7 96.6 86 1087 C G E -HE 94 68C 0 8,-2.9 7,-2.7 -2,-0.5 8,-1.4 -0.894 6.5-168.6-106.7 134.3 51.8 79.4 94.7 87 1088 C V E +HE 92 67C 3 -20,-2.9 -20,-2.1 -2,-0.4 -21,-2.0 -0.983 9.5 171.6-123.5 131.4 53.6 78.6 91.5 88 1089 C K E > -H 91 0C 53 3,-2.7 3,-2.1 -2,-0.4 -23,-0.1 -0.999 66.8 -1.5-142.6 134.6 52.8 75.7 89.3 89 1090 C D T 3 S- 0 0 123 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.802 128.9 -57.5 56.5 33.8 54.1 74.7 85.8 90 1091 C G T 3 S+ 0 0 13 1,-0.2 327,-3.1 348,-0.1 2,-0.3 0.457 119.8 99.4 79.1 2.7 56.3 77.9 85.8 91 1092 C R E < S-HI 88 416C 78 -3,-2.1 -3,-2.7 325,-0.3 2,-0.5 -0.830 85.9 -91.3-124.9 159.3 53.2 80.1 86.3 92 1093 C I E +H 87 0C 3 323,-2.8 322,-3.0 320,-0.3 -5,-0.2 -0.550 40.3 179.6 -69.6 114.1 51.5 82.0 89.1 93 1094 C F E - 0 0 77 -7,-2.7 2,-0.3 -2,-0.5 -6,-0.2 0.860 56.3 -29.6 -83.4 -44.8 48.9 79.5 90.4 94 1095 C A E -H 86 0C 17 -8,-1.4 -8,-2.9 318,-0.1 2,-0.5 -0.976 39.4-135.4-171.2 159.2 47.4 81.5 93.2 95 1096 C I E +H 85 0C 42 -2,-0.3 2,-0.2 -10,-0.2 -10,-0.2 -0.995 69.4 72.4-122.8 114.3 47.8 84.3 95.8 96 1097 C G E S-H 84 0C 7 -12,-2.5 -12,-2.7 -2,-0.5 2,-0.5 -0.730 85.1 -18.5-176.9-128.9 46.3 83.2 99.1 97 1098 C K - 0 0 3 9,-0.3 11,-3.0 -2,-0.2 12,-2.1 -0.955 53.9-156.7-118.5 117.7 46.7 80.8 102.0 98 1099 C A E +o 109 0E 0 -2,-0.5 2,-0.3 10,-0.2 -56,-0.1 -0.574 39.3 78.3 -93.2 155.7 49.0 77.8 101.6 99 1100 C G E S-o 110 0E 0 10,-2.2 12,-2.1 -2,-0.2 -42,-0.3 -0.995 77.6 -39.6 153.1-156.6 49.0 74.6 103.6 100 1101 C N >> - 0 0 2 -2,-0.3 4,-2.4 10,-0.2 3,-1.3 -0.943 32.4-156.5-116.3 113.9 47.3 71.3 104.1 101 1102 C P T 34 S+ 0 0 34 0, 0.0 541,-2.4 0, 0.0 542,-0.3 0.646 87.6 74.7 -60.5 -19.1 43.5 71.1 103.8 102 1103 C D T 34 S+ 0 0 29 539,-0.2 542,-2.1 540,-0.2 541,-1.1 0.855 121.3 2.6 -65.3 -33.4 43.5 68.0 105.9 103 1104 C I T <4 S+ 0 0 0 -3,-1.3 537,-2.8 -49,-0.3 538,-0.2 0.453 118.9 75.2-132.0 -7.6 44.1 69.9 109.1 104 1105 C Q < - 0 0 2 -4,-2.4 3,-0.4 536,-0.2 538,-0.2 -0.834 69.2-126.6-113.6 150.0 44.2 73.6 108.2 105 1106 C P S S+ 0 0 23 0, 0.0 -68,-0.1 0, 0.0 -5,-0.1 -0.516 81.6 13.1 -90.8 157.9 41.4 76.0 107.4 106 1107 C N S S+ 0 0 112 1,-0.2 2,-0.4 -2,-0.2 -9,-0.3 0.643 75.5 169.7 54.9 28.5 41.0 78.2 104.4 107 1108 C V + 0 0 30 -3,-0.4 -9,-0.2 1,-0.2 -1,-0.2 -0.537 14.8 158.7 -76.1 122.7 43.8 76.6 102.3 108 1109 C T + 0 0 80 -11,-3.0 -10,-0.2 -2,-0.4 -1,-0.2 0.481 68.6 56.0-115.5 -14.1 43.8 77.8 98.7 109 1110 C I E S-o 98 0E 0 -12,-2.1 -10,-2.2 -24,-0.0 2,-0.3 -0.885 81.3-149.1-124.3 94.0 47.4 76.8 97.9 110 1111 C P E -o 99 0E 23 0, 0.0 -45,-2.0 0, 0.0 2,-0.5 -0.493 4.9-154.2 -68.8 128.0 48.0 73.1 98.6 111 1112 C I + 0 0 0 -12,-2.1 -54,-3.1 -56,-0.3 -52,-0.2 -0.900 25.6 159.8-104.1 126.9 51.5 72.0 99.7 112 1113 C G > - 0 0 0 -2,-0.5 3,-2.1 -47,-0.4 -54,-0.1 -0.658 58.3 -73.9-132.5-169.5 52.5 68.5 99.0 113 1114 C A T 3 S+ 0 0 86 -54,-0.6 -53,-0.1 1,-0.3 -55,-0.1 0.786 128.6 56.9 -59.9 -28.6 55.5 66.2 98.6 114 1115 C A T 3 S+ 0 0 45 -55,-0.3 2,-0.5 2,-0.0 -1,-0.3 0.324 86.4 107.9 -86.6 9.6 56.2 67.9 95.3 115 1116 C T < - 0 0 15 -3,-2.1 2,-0.3 -48,-0.1 -48,-0.2 -0.778 51.3-161.0 -99.3 125.2 56.4 71.4 96.8 116 1117 C E E -f 67 0C 130 -50,-3.1 -48,-1.8 -2,-0.5 2,-0.4 -0.668 18.1-139.1 -92.6 154.1 59.6 73.4 97.2 117 1118 C V E -f 68 0C 23 -2,-0.3 2,-0.5 -50,-0.2 -48,-0.2 -0.951 19.6-173.5-124.8 137.5 59.6 76.3 99.6 118 1119 C I E -f 69 0C 24 -50,-2.3 -48,-2.1 -2,-0.4 2,-0.7 -0.997 27.3-135.6-123.4 115.5 61.0 79.8 99.5 119 1120 C A E +f 70 0C 54 -2,-0.5 -48,-0.1 -50,-0.2 -50,-0.1 -0.684 31.3 168.5 -76.4 112.2 60.7 81.6 102.9 120 1121 C A > + 0 0 0 -50,-1.7 3,-2.6 -2,-0.7 -47,-0.4 0.332 24.4 134.1-107.5 6.3 59.5 85.1 102.1 121 1122 C E T 3 S+ 0 0 31 1,-0.3 -108,-0.3 -51,-0.1 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4,-0.4 0.880 109.0 51.5 -73.5 -35.4 88.8 105.3 102.0 681 3024 A L H ><5S+ 0 0 47 -4,-2.5 3,-1.6 1,-0.2 -2,-0.2 0.902 106.1 56.4 -66.1 -38.8 88.8 104.9 105.8 682 3025 A A H 3<5S+ 0 0 88 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.834 101.9 56.3 -60.6 -34.0 92.3 106.3 105.7 683 3026 A R T 3<5S- 0 0 170 -4,-1.2 -1,-0.3 -3,-0.1 -2,-0.2 0.563 122.8-107.6 -73.8 -11.7 91.0 109.4 104.0 684 3027 A G T < 5 + 0 0 66 -3,-1.6 2,-0.2 -4,-0.4 -3,-0.2 0.712 67.7 149.2 92.1 21.1 88.5 109.9 106.8 685 3028 A L < - 0 0 82 -5,-2.0 2,-0.6 1,-0.0 -1,-0.3 -0.565 53.2-115.9 -86.9 151.9 85.4 108.8 105.0 686 3029 A K - 0 0 122 -2,-0.2 40,-0.3 40,-0.1 39,-0.1 -0.811 42.1-122.3 -85.9 119.8 82.4 107.2 106.8 687 3030 A L B -i 726 0O 0 38,-2.5 40,-2.8 -2,-0.6 43,-0.1 -0.281 19.7-139.6 -67.2 148.5 82.2 103.7 105.2 688 3031 A N > - 0 0 8 38,-0.2 4,-2.1 -136,-0.1 5,-0.2 -0.269 37.9 -78.9 -94.6-172.1 79.2 102.4 103.4 689 3032 A Y H > S+ 0 0 56 -139,-1.9 4,-2.1 1,-0.2 5,-0.2 0.947 125.0 38.3 -58.0 -60.6 77.6 98.9 103.5 690 3033 A P H > S+ 0 0 22 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.880 115.8 54.2 -62.7 -34.1 79.9 96.9 101.1 691 3034 A E H > S+ 0 0 13 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.904 109.4 47.5 -64.2 -43.1 83.0 98.7 102.3 692 3035 A S H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 5,-0.3 0.944 112.6 48.1 -63.5 -48.6 82.3 97.8 106.0 693 3036 A V H X S+ 0 0 8 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.912 114.3 47.2 -59.4 -44.1 81.6 94.1 105.2 694 3037 A A H X S+ 0 0 4 -4,-2.4 4,-2.5 -5,-0.2 -20,-0.3 0.937 111.7 49.9 -64.3 -47.1 84.7 93.8 103.1 695 3038 A L H X S+ 0 0 20 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.938 114.4 42.0 -58.7 -51.4 87.0 95.5 105.7 696 3039 A I H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.890 114.0 53.4 -64.5 -39.9 85.9 93.4 108.7 697 3040 A S H X S+ 0 0 0 -4,-2.0 4,-2.0 -5,-0.3 -1,-0.2 0.924 108.6 48.0 -60.7 -47.7 85.9 90.2 106.6 698 3041 A A H X S+ 0 0 13 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.876 106.8 58.2 -62.0 -39.1 89.5 90.7 105.4 699 3042 A F H X S+ 0 0 77 -4,-1.8 4,-1.7 -5,-0.2 -1,-0.2 0.937 107.5 47.2 -55.7 -47.6 90.6 91.5 109.0 700 3043 A I H X S+ 0 0 1 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.905 107.4 54.9 -63.1 -43.2 89.3 88.0 110.1 701 3044 A M H X S+ 0 0 22 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.894 109.9 47.5 -59.0 -40.3 91.0 86.2 107.2 702 3045 A E H X S+ 0 0 95 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.851 108.0 56.0 -69.1 -33.5 94.3 87.7 108.2 703 3046 A G H X>S+ 0 0 4 -4,-1.7 5,-2.4 1,-0.2 4,-1.0 0.897 107.5 48.7 -64.1 -39.4 93.7 86.7 111.8 704 3047 A A H <5S+ 0 0 1 -4,-2.3 3,-0.4 1,-0.2 -1,-0.2 0.886 108.7 53.3 -66.8 -39.0 93.2 83.1 110.7 705 3048 A R H <5S+ 0 0 185 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.862 106.8 53.4 -63.2 -36.6 96.4 83.3 108.7 706 3049 A D H <5S- 0 0 117 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.740 121.3-110.3 -69.1 -26.2 98.2 84.5 111.9 707 3050 A G T <5 + 0 0 39 -4,-1.0 -3,-0.2 -3,-0.4 -2,-0.1 0.626 61.2 156.2 104.5 15.3 96.8 81.5 113.8 708 3051 A K < - 0 0 70 -5,-2.4 -1,-0.2 1,-0.1 2,-0.1 -0.402 44.6-106.5 -71.0 154.4 94.3 83.2 116.0 709 3052 A S > - 0 0 57 1,-0.1 4,-2.3 -2,-0.1 5,-0.2 -0.390 19.5-116.1 -80.9 161.1 91.5 81.1 117.4 710 3053 A V H > S+ 0 0 41 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.916 117.4 52.9 -60.2 -43.1 87.8 81.3 116.2 711 3054 A A H > S+ 0 0 72 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.888 109.1 48.6 -60.4 -42.9 86.8 82.5 119.7 712 3055 A S H >> S+ 0 0 50 1,-0.2 4,-2.6 2,-0.2 3,-0.7 0.929 112.8 47.2 -64.4 -45.4 89.4 85.3 119.7 713 3056 A L H 3X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.834 101.5 64.1 -66.8 -33.9 88.4 86.5 116.2 714 3057 A M H 3< S+ 0 0 73 -4,-2.3 39,-0.3 -5,-0.2 -1,-0.2 0.789 114.5 34.5 -59.9 -28.4 84.6 86.4 117.1 715 3058 A E H X< S+ 0 0 97 -4,-0.8 3,-1.8 -3,-0.7 -2,-0.2 0.874 116.2 51.5 -90.9 -50.5 85.4 89.1 119.7 716 3059 A E H >< S+ 0 0 67 -4,-2.6 3,-2.1 1,-0.3 -2,-0.2 0.857 100.2 66.1 -57.2 -35.0 88.2 91.1 117.9 717 3060 A G G >< S+ 0 0 0 -4,-2.6 3,-0.6 1,-0.3 4,-0.3 0.663 92.0 62.8 -62.7 -16.2 86.0 91.4 114.8 718 3061 A R G < S+ 0 0 66 -3,-1.8 39,-0.3 1,-0.2 -1,-0.3 0.410 99.8 54.6 -88.8 0.6 83.6 93.6 116.8 719 3062 A H G < S+ 0 0 115 -3,-2.1 -1,-0.2 -4,-0.1 -2,-0.2 0.056 80.5 88.5-122.0 25.2 86.2 96.2 117.4 720 3063 A V S < S+ 0 0 34 -3,-0.6 2,-0.4 35,-0.3 -2,-0.1 0.885 98.0 17.7 -87.6 -44.9 87.3 96.9 113.8 721 3064 A L - 0 0 2 34,-0.4 36,-0.5 -4,-0.3 -1,-0.3 -0.984 69.4-153.1-131.4 140.9 84.7 99.7 113.0 722 3065 A T > - 0 0 46 -2,-0.4 3,-2.0 34,-0.2 4,-0.3 -0.641 36.0-102.5-106.4 167.0 82.6 101.8 115.3 723 3066 A R G > S+ 0 0 115 1,-0.3 3,-1.0 -2,-0.2 7,-0.1 0.808 120.6 59.5 -58.0 -29.9 79.3 103.4 114.6 724 3067 A E G 3 S+ 0 0 142 1,-0.2 -1,-0.3 -38,-0.0 4,-0.1 0.532 100.1 56.7 -78.7 -5.5 81.0 106.8 114.1 725 3068 A Q G < S+ 0 0 66 -3,-2.0 -38,-2.5 -39,-0.1 2,-0.3 0.410 102.9 60.5-104.4 1.2 83.1 105.4 111.3 726 3069 A V B < S-i 687 0O 3 -3,-1.0 -38,-0.2 -40,-0.3 3,-0.1 -0.838 89.6 -92.0-127.6 161.6 80.2 104.3 109.1 727 3070 A M > - 0 0 45 -40,-2.8 3,-1.6 -2,-0.3 -2,-0.1 -0.281 58.3 -78.9 -66.2 158.9 77.3 105.9 107.3 728 3071 A E T 3 S+ 0 0 127 1,-0.2 -1,-0.1 2,-0.1 -171,-0.0 -0.276 116.9 17.4 -61.3 138.1 73.9 106.1 109.1 729 3072 A G T 3> S+ 0 0 3 -3,-0.1 4,-1.1 -172,-0.1 -1,-0.2 0.092 94.5 106.3 88.3 -22.2 71.9 102.9 109.0 730 3073 A V H X> S+ 0 0 0 -3,-1.6 3,-0.8 1,-0.2 4,-0.7 0.898 73.8 54.7 -58.5 -45.5 74.9 100.8 108.1 731 3074 A P H >4 S+ 0 0 10 0, 0.0 3,-1.0 0, 0.0 25,-0.2 0.918 109.9 48.7 -56.3 -39.1 75.3 99.2 111.5 732 3075 A E H 34 S+ 0 0 74 1,-0.3 -2,-0.2 -3,-0.2 -175,-0.1 0.696 104.5 59.2 -72.1 -23.4 71.7 98.0 111.3 733 3076 A M H << S+ 0 0 16 -4,-1.1 -1,-0.3 -3,-0.8 -3,-0.1 0.555 103.2 56.9 -80.6 -12.1 72.2 96.6 107.8 734 3077 A I << + 0 0 5 -3,-1.0 22,-0.4 -4,-0.7 -1,-0.2 -0.656 54.8 164.2-122.0 77.9 74.9 94.3 109.2 735 3078 A P S S- 0 0 74 0, 0.0 19,-3.0 0, 0.0 2,-0.3 0.754 76.9 -15.3 -63.5 -22.8 73.5 92.1 112.0 736 3079 A D E - A 0 753J 60 17,-0.3 2,-0.4 18,-0.1 17,-0.2 -0.966 59.9-135.7-170.9 163.7 76.5 89.9 111.6 737 3080 A I E - A 0 752J 4 15,-1.9 15,-2.8 -2,-0.3 2,-0.4 -0.991 18.4-169.2-132.4 137.7 79.4 89.0 109.3 738 3081 A Q E + A 0 751J 31 -2,-0.4 -282,-2.5 -284,-0.3 2,-0.3 -0.986 13.4 156.8-131.4 141.1 80.6 85.6 108.4 739 3082 A V E -zA 456 750J 1 11,-1.7 11,-2.5 -2,-0.4 2,-0.3 -0.975 25.2-142.4-159.7 149.2 83.7 84.4 106.6 740 3083 A E E + A 0 749J 10 -284,-0.5 2,-0.3 -2,-0.3 9,-0.2 -0.883 23.2 166.2-116.7 149.5 85.8 81.2 106.4 741 3084 A A E - A 0 748J 15 7,-1.3 7,-1.7 -2,-0.3 2,-0.9 -0.948 44.9 -89.1-153.0 165.8 89.6 81.0 106.2 742 3085 A T E - A 0 747J 103 -2,-0.3 5,-0.3 5,-0.2 -2,-0.0 -0.752 44.8-172.5 -86.8 105.2 92.2 78.3 106.6 743 3086 A F E > - A 0 746J 6 3,-2.5 3,-2.0 -2,-0.9 -38,-0.1 -0.363 47.0 -91.8 -84.6 173.1 93.3 78.2 110.2 744 3087 A P T 3 S+ 0 0 108 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.838 132.8 47.7 -56.8 -28.2 96.3 76.1 111.3 745 3088 A D T 3 S- 0 0 108 1,-0.4 2,-0.1 -38,-0.0 -3,-0.0 -0.102 126.1 -92.2-102.8 33.8 93.7 73.3 111.9 746 3089 A G E < S-A 743 0J 30 -3,-2.0 -3,-2.5 2,-0.0 -1,-0.4 -0.284 73.4 -14.6 90.0-175.5 91.9 73.7 108.6 747 3090 A S E +A 742 0J 59 -5,-0.3 2,-0.3 -3,-0.1 -5,-0.2 -0.429 62.9 174.5 -67.4 133.0 88.9 75.8 107.4 748 3091 A K E -A 741 0J 82 -7,-1.7 -7,-1.3 -2,-0.2 2,-0.5 -0.966 28.5-123.1-138.9 152.0 86.7 77.3 110.1 749 3092 A L E -A 740 0J 46 -2,-0.3 2,-0.5 -9,-0.2 -9,-0.2 -0.829 20.1-161.6 -98.5 130.7 83.7 79.6 110.0 750 3093 A V E -A 739 0J 0 -11,-2.5 -11,-1.7 -2,-0.5 2,-0.5 -0.964 5.1-170.7-114.4 122.9 83.9 82.9 112.0 751 3094 A T E -A 738 0J 26 -2,-0.5 2,-0.6 -13,-0.2 -13,-0.2 -0.979 2.5-167.1-115.3 121.2 80.6 84.6 112.8 752 3095 A V E -A 737 0J 0 -15,-2.8 -15,-1.9 -2,-0.5 2,-0.3 -0.950 12.4-149.9-109.7 114.5 80.8 88.1 114.3 753 3096 A H E S-A 736 0J 105 -2,-0.6 -17,-0.3 1,-0.3 -2,-0.0 -0.669 74.2 -7.2 -87.1 141.7 77.5 89.3 115.7 754 3097 A N S S+ 0 0 96 -19,-3.0 -1,-0.3 -2,-0.3 -18,-0.1 0.912 75.4 180.0 38.1 62.1 76.7 93.0 115.7 755 3098 A P + 0 0 0 0, 0.0 2,-0.6 0, 0.0 -34,-0.4 0.744 62.9 59.8 -61.9 -25.3 80.2 93.8 114.5 756 3099 A I 0 0 6 -22,-0.4 -34,-0.2 -25,-0.2 -22,-0.1 -0.934 360.0 360.0-115.4 116.7 79.5 97.6 114.5 757 3100 A I 0 0 101 -2,-0.6 -35,-0.2 -36,-0.5 -1,-0.2 0.616 360.0 360.0-125.2 360.0 78.5 99.3 117.7