==== 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 1EJW . COMPND 2 MOLECULE: UREASE ALPHA SUBUNIT; . SOURCE 2 ORGANISM_SCIENTIFIC: KLEBSIELLA AEROGENES; . AUTHOR M.A.PEARSON,P.A.KARPLUS . 767 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28936.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 519 67.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 60 7.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 88 11.5 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 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 95 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 163 21.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.6 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 3 0 3 2 1 1 1 1 2 1 0 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 5 2 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 . 6 2 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 50 0, 0.0 581,-3.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 145.7 46.9 82.4 122.6 2 1003 C N E -A 581 0A 89 579,-0.3 2,-0.3 629,-0.0 579,-0.2 -0.853 360.0-172.0-130.7 162.5 48.1 86.0 121.8 3 1004 C I E -A 580 0A 17 577,-1.6 577,-3.2 -2,-0.3 2,-0.1 -0.960 33.4-103.4-152.6 152.4 51.4 87.2 120.7 4 1005 C S E > -A 579 0A 48 -2,-0.3 4,-2.6 575,-0.3 575,-0.3 -0.520 27.5-116.7 -80.9 159.3 52.4 90.9 120.5 5 1006 C R H > S+ 0 0 26 573,-2.6 4,-2.8 1,-0.2 5,-0.2 0.842 113.4 55.6 -63.8 -33.1 52.5 92.7 117.2 6 1007 C Q H > S+ 0 0 92 572,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.956 111.1 39.9 -70.7 -42.6 56.1 93.2 117.5 7 1008 C A H > S+ 0 0 36 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.881 114.6 55.2 -72.7 -33.3 57.1 89.6 118.0 8 1009 C Y H >X>S+ 0 0 1 -4,-2.6 4,-2.7 2,-0.2 3,-0.5 0.955 107.1 50.0 -58.8 -50.7 54.6 88.7 115.4 9 1010 C A H 3X5S+ 0 0 2 -4,-2.8 4,-1.5 1,-0.2 -2,-0.2 0.877 110.4 53.1 -56.5 -36.2 56.3 91.1 112.8 10 1011 C D H 3<5S+ 0 0 120 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.844 116.3 35.5 -68.6 -33.2 59.6 89.5 113.7 11 1012 C M H <<5S+ 0 0 60 -4,-1.7 -2,-0.2 -3,-0.5 -1,-0.2 0.771 134.2 16.8 -93.1 -31.9 58.5 86.0 113.1 12 1013 C F H <5S- 0 0 1 -4,-2.7 110,-0.4 1,-0.3 -3,-0.2 0.424 105.5-106.1-126.8 5.7 56.2 86.3 110.1 13 1014 C G << - 0 0 1 -4,-1.5 -1,-0.3 -5,-0.5 -2,-0.1 -0.196 61.2 -36.3 88.3 164.4 56.9 89.6 108.7 14 1015 C P - 0 0 4 0, 0.0 2,-0.2 0, 0.0 108,-0.1 -0.054 57.3-161.9 -61.7 155.2 54.5 92.7 109.0 15 1016 C T > - 0 0 2 1,-0.2 3,-2.8 -10,-0.1 16,-0.4 -0.687 42.6 -29.2-130.2-170.4 50.7 92.6 109.0 16 1017 C V T 3 S+ 0 0 53 1,-0.3 -1,-0.2 -2,-0.2 16,-0.2 -0.033 126.7 8.6 -44.1 121.9 47.8 94.8 108.5 17 1018 C G T 3 S+ 0 0 5 14,-2.0 -1,-0.3 1,-0.4 2,-0.2 0.293 95.2 123.7 94.2 -12.8 48.4 98.5 109.5 18 1019 C D < - 0 0 1 -3,-2.8 13,-2.6 557,-0.1 -1,-0.4 -0.539 51.2-144.4 -77.4 152.5 52.1 98.0 110.0 19 1020 C K E -BC 30 574B 44 555,-2.4 555,-3.0 11,-0.2 2,-0.4 -0.900 11.3-164.3-119.3 147.9 54.4 100.3 107.9 20 1021 C V E -BC 29 573B 0 9,-2.3 9,-2.2 -2,-0.3 2,-0.3 -0.998 19.2-131.1-131.6 136.4 57.8 99.6 106.2 21 1022 C R E -B 28 0B 15 551,-2.8 2,-0.8 -2,-0.4 7,-0.2 -0.593 27.1-124.1 -86.0 137.8 60.3 102.2 104.9 22 1023 C L > - 0 0 2 5,-2.6 3,-2.0 -2,-0.3 5,-0.4 -0.770 63.0 -57.8 -87.9 113.6 61.5 101.4 101.4 23 1024 C A T 3 S- 0 0 0 413,-2.4 548,-2.2 -2,-0.8 549,-0.3 -0.209 106.9 -35.4 52.4-135.5 65.3 101.2 101.5 24 1025 C D T 3 S+ 0 0 10 546,-0.2 -1,-0.2 415,-0.2 2,-0.1 0.050 111.5 108.7-104.8 27.6 66.8 104.6 102.7 25 1026 C T S < S- 0 0 0 -3,-2.0 546,-0.1 2,-0.2 350,-0.1 -0.312 81.3-113.3 -89.5 178.9 64.1 106.7 101.0 26 1027 C E S S+ 0 0 76 -2,-0.1 2,-0.4 -5,-0.1 -3,-0.1 0.162 80.5 115.2 -95.8 13.6 61.3 108.7 102.7 27 1028 C L - 0 0 0 -5,-0.4 -5,-2.6 347,-0.1 2,-0.4 -0.758 44.7-172.6 -91.0 132.0 58.7 106.4 101.1 28 1029 C W E -B 21 0B 43 -2,-0.4 367,-2.7 -7,-0.2 2,-0.4 -0.972 7.6-157.7-120.9 137.3 56.6 104.2 103.6 29 1030 C I E -B 20 0B 1 -9,-2.2 -9,-2.3 -2,-0.4 2,-0.4 -0.866 7.6-148.5-109.7 149.5 54.2 101.5 102.5 30 1031 C E E -B 19 0B 44 -2,-0.4 2,-0.4 -11,-0.2 -11,-0.2 -0.961 24.2-112.9-116.9 130.5 51.4 100.3 104.8 31 1032 C V - 0 0 2 -13,-2.6 -14,-2.0 -2,-0.4 50,-0.2 -0.487 30.8-171.5 -62.7 120.1 50.2 96.7 104.7 32 1033 C E - 0 0 74 48,-2.7 2,-0.3 -2,-0.4 49,-0.2 0.764 61.1 -3.5 -85.5 -26.3 46.6 96.9 103.3 33 1034 C D E -d 81 0C 88 47,-0.6 49,-2.7 -17,-0.0 2,-0.4 -0.983 53.8-148.2-162.0 159.6 45.4 93.4 103.9 34 1035 C D E -d 82 0C 21 -2,-0.3 49,-0.2 47,-0.2 -19,-0.0 -0.982 3.0-161.0-139.9 119.9 46.7 90.0 105.0 35 1036 C L + 0 0 64 47,-2.4 48,-0.1 -2,-0.4 -1,-0.0 0.392 60.0 102.4 -81.7 2.4 45.3 86.8 103.6 36 1037 C T S S- 0 0 27 46,-0.2 2,-0.5 61,-0.1 -2,-0.1 -0.199 71.5-128.1 -81.8 178.0 46.4 84.5 106.4 37 1038 C T > - 0 0 39 68,-0.1 3,-3.0 546,-0.0 4,-0.2 -0.997 42.6-112.5-118.2 110.4 44.4 83.0 109.4 38 1039 C Y T 3 S+ 0 0 67 -2,-0.5 545,-2.2 1,-0.3 546,-0.3 -0.303 104.8 25.4 -54.1 125.6 46.4 84.1 112.6 39 1040 C G T 3 S+ 0 0 0 543,-0.3 -1,-0.3 544,-0.1 591,-0.1 0.075 112.0 75.1 109.4 -22.5 47.9 81.0 114.2 40 1041 C E < + 0 0 0 -3,-3.0 -2,-0.2 592,-0.1 542,-0.0 0.193 59.5 134.3-107.2 16.9 47.8 79.1 110.8 41 1042 C E - 0 0 1 -4,-0.2 2,-0.4 1,-0.1 8,-0.1 -0.305 56.0-125.2 -64.7 143.6 50.8 80.8 109.0 42 1043 C V + 0 0 0 7,-0.1 2,-0.3 590,-0.1 -1,-0.1 -0.792 33.5 174.3 -93.3 137.8 53.1 78.3 107.3 43 1044 C K - 0 0 35 -2,-0.4 7,-1.9 2,-0.1 6,-1.1 -0.994 20.3-139.4-144.1 138.4 56.9 78.5 108.3 44 1045 C F + 0 0 129 -2,-0.3 2,-0.3 5,-0.2 7,-0.1 -0.849 49.8 78.0-105.4 140.2 59.6 76.1 107.2 45 1046 C G S > S- 0 0 23 -2,-0.4 3,-1.9 5,-0.2 2,-0.2 -0.896 84.2 -31.7 152.3-179.3 62.4 74.6 109.3 46 1047 C G T 3 S+ 0 0 78 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 -0.448 130.4 1.9 -66.4 133.8 63.2 72.0 112.0 47 1048 C G T 3 S+ 0 0 29 -2,-0.2 558,-0.4 1,-0.2 -1,-0.3 0.598 109.6 123.5 66.2 12.6 60.1 71.5 114.2 48 1049 C K S < S- 0 0 67 -3,-1.9 558,-0.2 2,-0.1 -1,-0.2 -0.046 75.3 -85.1 -92.7-158.9 58.1 74.0 112.2 49 1050 C V S S+ 0 0 0 -6,-1.1 6,-3.0 1,-0.2 2,-1.8 0.882 101.3 77.3 -77.9 -42.9 54.8 73.9 110.3 50 1051 C I + 0 0 10 -7,-1.9 2,-0.3 5,-0.2 -5,-0.2 -0.509 69.9 118.6 -79.0 83.1 55.7 72.5 106.8 51 1052 C R S > >S- 0 0 70 -2,-1.8 3,-2.7 -4,-0.1 5,-1.8 -0.961 74.5 -67.8-147.4 151.6 56.0 68.8 107.6 52 1053 C D B 3 5S+n 56 0D 75 -2,-0.3 608,-0.3 1,-0.3 5,-0.2 -0.094 121.2 4.0 -46.7 122.9 54.3 65.6 106.6 53 1054 C G T 3 5S+ 0 0 1 3,-2.1 605,-0.3 1,-0.2 -1,-0.3 0.233 127.6 67.8 86.5 -18.7 50.7 65.5 107.9 54 1055 C M T < 5S- 0 0 10 -3,-2.7 49,-0.2 2,-0.2 -1,-0.2 0.530 125.0 -17.3 -97.9-117.1 51.0 69.1 109.3 55 1056 C G T 5S+ 0 0 0 -6,-3.0 2,-0.5 -7,-0.1 56,-0.3 0.500 131.6 71.5 -71.2 -7.3 51.4 72.1 107.0 56 1057 C Q B - 0 0 130 52,-0.1 3,-2.1 1,-0.1 4,-0.1 -0.371 42.3 -93.2 -77.3 165.9 49.9 64.0 94.3 61 1062 C A G > S+ 0 0 57 1,-0.3 3,-1.6 2,-0.2 -1,-0.1 0.833 123.0 61.3 -52.7 -39.3 51.9 66.6 92.3 62 1063 C A G 3 S+ 0 0 69 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.774 105.0 48.9 -64.5 -21.1 49.1 67.5 90.1 63 1064 C D G < S+ 0 0 105 -3,-2.1 2,-0.3 2,-0.1 -1,-0.3 0.233 109.4 53.5-101.9 13.5 47.1 68.6 93.1 64 1065 C C S < S- 0 0 1 -3,-1.6 47,-0.2 -4,-0.1 2,-0.1 -0.925 86.4 -97.4-139.8 165.7 49.7 70.8 94.8 65 1066 C V - 0 0 0 45,-2.2 47,-0.5 -2,-0.3 23,-0.2 -0.417 18.4-136.7 -80.4 157.2 52.0 73.7 93.8 66 1067 C D S S+ 0 0 64 21,-2.0 50,-3.6 1,-0.3 2,-0.4 0.787 89.7 15.1 -77.8 -34.0 55.7 73.3 92.7 67 1068 C L E -Ef 87 116C 12 20,-1.8 20,-2.5 48,-0.3 2,-0.4 -1.000 62.1-164.6-146.6 136.0 56.8 76.2 94.8 68 1069 C V E -Ef 86 117C 0 48,-1.9 50,-2.5 -2,-0.4 2,-0.7 -0.986 10.0-154.5-121.3 137.3 55.3 78.3 97.6 69 1070 C L E > -Ef 85 118C 0 16,-2.7 16,-2.3 -2,-0.4 3,-0.6 -0.954 28.9-144.8-103.7 111.8 56.7 81.7 98.7 70 1071 C T E 3 - f 0 119C 0 48,-2.4 50,-1.6 -2,-0.7 51,-0.2 -0.585 62.2 -7.7 -86.2 138.7 55.6 82.0 102.3 71 1072 C N E 3 S+ 0 0 6 -2,-0.3 51,-0.5 1,-0.2 52,-0.4 0.873 82.9 172.8 56.3 39.0 54.5 85.1 104.1 72 1073 C A E < -E 83 0C 0 11,-1.6 11,-2.3 -3,-0.6 2,-0.8 -0.533 33.4-138.2 -78.9 149.4 55.4 87.5 101.4 73 1074 C L E -Eg 82 124C 4 50,-1.9 52,-2.3 47,-0.4 2,-0.4 -0.873 29.1-152.4-104.2 106.0 54.6 91.2 101.4 74 1075 C I E -Eg 81 125C 0 7,-3.1 7,-1.2 -2,-0.8 2,-0.5 -0.640 16.0-171.1 -83.4 135.6 53.5 91.8 97.8 75 1076 C V E +E 80 0C 1 50,-2.1 52,-0.5 -2,-0.4 2,-0.3 -0.971 29.5 135.0-121.5 114.2 53.9 95.2 96.2 76 1077 C D E > -E 79 0C 0 3,-2.0 3,-1.1 -2,-0.5 328,-0.1 -0.909 69.6 -87.6-147.7 177.9 52.1 95.5 92.8 77 1078 C H T 3 S+ 0 0 29 -2,-0.3 3,-0.1 1,-0.2 327,-0.1 0.812 122.9 50.8 -64.6 -25.3 49.9 97.9 91.0 78 1079 C W T 3 S- 0 0 96 1,-0.2 2,-0.3 322,-0.0 -1,-0.2 0.575 121.7 -33.2 -90.7 -9.8 46.8 96.3 92.5 79 1080 C G E < - E 0 76C 1 -3,-1.1 -3,-2.0 317,-0.1 2,-0.5 -0.925 42.6-114.7 168.8 168.3 47.6 96.3 96.2 80 1081 C I E + E 0 75C 0 -2,-0.3 -48,-2.7 -5,-0.2 -47,-0.6 -0.950 57.6 158.0-127.6 96.7 50.3 96.0 99.0 81 1082 C V E -dE 33 74C 10 -7,-1.2 -7,-3.1 -2,-0.5 2,-0.5 -0.950 45.5-127.3-132.0 149.3 49.1 92.8 100.7 82 1083 C K E +dE 34 73C 4 -49,-2.7 -47,-2.4 -2,-0.3 2,-0.3 -0.786 52.9 133.2 -92.0 126.2 50.6 90.1 102.9 83 1084 C A E - E 0 72C 5 -11,-2.3 -11,-1.6 -2,-0.5 2,-0.3 -0.990 57.1-103.6-164.2 167.1 49.9 86.6 101.3 84 1085 C D E -H 96 0C 4 12,-2.7 12,-2.6 -2,-0.3 2,-0.4 -0.746 36.8-144.8 -92.9 150.4 51.5 83.2 100.4 85 1086 C I E -HE 95 69C 0 -16,-2.3 -16,-2.7 -2,-0.3 2,-0.4 -0.976 8.7-157.8-123.6 133.1 52.2 82.9 96.7 86 1087 C G E -HE 94 68C 0 8,-2.5 7,-2.9 -2,-0.4 8,-1.1 -0.875 5.5-167.6-110.2 134.6 51.8 79.5 94.8 87 1088 C V E +HE 92 67C 2 -20,-2.5 -21,-2.0 -2,-0.4 -20,-1.8 -0.973 8.3 175.7-123.7 131.6 53.6 78.7 91.5 88 1089 C K E > -H 91 0C 52 3,-2.4 3,-1.9 -2,-0.4 -23,-0.1 -0.998 66.6 -3.7-141.6 133.2 52.8 75.8 89.4 89 1090 C D T 3 S- 0 0 130 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.824 129.8 -55.4 54.5 34.0 54.2 74.8 86.0 90 1091 C G T 3 S+ 0 0 17 1,-0.2 339,-2.7 360,-0.1 2,-0.3 0.445 120.2 98.3 83.6 -0.5 56.3 78.0 85.8 91 1092 C R E < S-HI 88 428C 82 -3,-1.9 -3,-2.4 337,-0.3 2,-0.5 -0.830 84.6 -92.4-119.3 164.4 53.2 80.2 86.4 92 1093 C I E +H 87 0C 3 335,-3.1 334,-3.0 332,-0.3 -5,-0.3 -0.587 39.9 179.2 -78.1 120.2 51.5 82.0 89.2 93 1094 C F E - 0 0 80 -7,-2.9 2,-0.3 -2,-0.5 -6,-0.2 0.861 55.3 -20.8 -88.0 -42.9 49.0 79.7 90.5 94 1095 C A E -H 86 0C 16 -8,-1.1 -8,-2.5 330,-0.1 2,-0.5 -0.963 40.0-143.2-165.2 155.7 47.3 81.6 93.4 95 1096 C I E +H 85 0C 40 -2,-0.3 2,-0.2 -10,-0.2 -10,-0.2 -1.000 69.8 76.5-120.2 118.9 47.9 84.5 95.9 96 1097 C G E S-H 84 0C 7 -12,-2.6 -12,-2.7 -2,-0.5 2,-0.5 -0.746 84.8 -24.3 178.0-132.8 46.3 83.3 99.1 97 1098 C K - 0 0 5 -2,-0.2 11,-2.4 9,-0.2 12,-2.0 -0.939 52.6-155.4-121.4 122.8 46.8 81.0 102.0 98 1099 C A E +o 109 0E 0 -2,-0.5 2,-0.3 10,-0.2 -56,-0.0 -0.550 38.1 77.6 -98.7 164.2 49.0 78.0 101.8 99 1100 C G E S-o 110 0E 0 10,-2.3 12,-2.0 -2,-0.2 -42,-0.2 -0.995 78.1 -41.9 149.0-158.6 49.0 74.7 103.7 100 1101 C N >> - 0 0 1 -2,-0.3 4,-2.1 10,-0.2 3,-1.6 -0.933 33.8-159.1-115.7 108.7 47.4 71.4 104.2 101 1102 C P T 34 S+ 0 0 35 0, 0.0 553,-3.4 0, 0.0 554,-0.3 0.631 85.2 78.5 -62.7 -12.8 43.5 71.4 104.1 102 1103 C D T 34 S+ 0 0 29 551,-0.2 554,-2.2 -48,-0.2 553,-0.6 0.841 121.2 3.4 -67.4 -27.6 43.5 68.0 106.0 103 1104 C I T <4 S+ 0 0 0 -3,-1.6 549,-2.7 -49,-0.2 550,-0.3 0.472 120.5 75.0-134.8 -4.1 44.1 70.0 109.2 104 1105 C Q S < S- 0 0 1 -4,-2.1 3,-0.5 548,-0.2 2,-0.2 -0.895 70.2-122.6-119.5 151.0 44.1 73.8 108.3 105 1106 C P S S+ 0 0 23 0, 0.0 -68,-0.1 0, 0.0 -3,-0.1 -0.565 81.8 6.8 -89.8 150.4 41.4 76.1 107.5 106 1107 C N S S+ 0 0 115 -2,-0.2 2,-0.5 1,-0.2 -9,-0.2 0.770 74.7 172.7 58.0 32.8 41.0 78.2 104.3 107 1108 C V + 0 0 28 -3,-0.5 -1,-0.2 1,-0.1 -9,-0.2 -0.679 13.5 163.3 -77.4 123.1 43.8 76.7 102.5 108 1109 C T + 0 0 82 -11,-2.4 -10,-0.2 -2,-0.5 -1,-0.1 0.527 68.5 52.2-111.4 -14.1 43.9 77.9 98.8 109 1110 C I E S-o 98 0E 0 -12,-2.0 -10,-2.3 -15,-0.0 2,-0.3 -0.899 82.7-146.9-127.7 100.3 47.5 76.9 97.9 110 1111 C P E -o 99 0E 25 0, 0.0 -45,-2.2 0, 0.0 2,-0.5 -0.586 4.1-151.5 -78.7 134.8 48.1 73.3 98.7 111 1112 C I + 0 0 0 -12,-2.0 -54,-2.8 -56,-0.3 -52,-0.2 -0.883 26.4 161.1-102.0 125.3 51.5 72.2 99.8 112 1113 C G > - 0 0 0 -2,-0.5 3,-2.0 -47,-0.5 -54,-0.1 -0.581 57.8 -77.3-126.9-168.0 52.6 68.6 99.1 113 1114 C A T 3 S+ 0 0 84 -54,-0.5 -53,-0.1 -56,-0.3 -55,-0.1 0.866 128.6 56.2 -58.6 -33.7 55.6 66.3 98.8 114 1115 C A T 3 S+ 0 0 47 -55,-0.3 2,-0.5 2,-0.0 -1,-0.3 0.327 86.8 106.5 -81.1 7.9 56.2 67.9 95.4 115 1116 C T < - 0 0 16 -3,-2.0 -48,-0.3 -48,-0.1 2,-0.2 -0.810 51.6-160.3 -99.8 128.0 56.4 71.5 96.8 116 1117 C E E -f 67 0C 134 -50,-3.6 -48,-1.9 -2,-0.5 2,-0.4 -0.617 18.2-141.3 -92.9 158.7 59.6 73.5 97.2 117 1118 C V E -f 68 0C 25 -2,-0.2 2,-0.5 -50,-0.2 -48,-0.2 -0.991 18.5-171.1-128.8 135.1 59.5 76.5 99.7 118 1119 C I E -f 69 0C 24 -50,-2.5 -48,-2.4 -2,-0.4 2,-0.9 -0.973 27.8-135.5-114.4 123.3 61.1 80.0 99.6 119 1120 C A E +f 70 0C 51 -2,-0.5 -48,-0.1 -50,-0.2 -50,-0.1 -0.765 29.8 172.2 -84.0 114.3 60.6 81.7 102.9 120 1121 C A > + 0 0 0 -50,-1.6 3,-2.6 -2,-0.9 -47,-0.4 0.364 25.5 135.6-104.0 5.6 59.5 85.3 102.2 121 1122 C E T 3 S+ 0 0 31 1,-0.3 -108,-0.3 -51,-0.2 -49,-0.1 -0.269 80.5 12.9 -57.4 125.4 58.6 86.4 105.8 122 1123 C G T 3 S+ 0 0 18 -51,-0.5 2,-0.3 -110,-0.4 -1,-0.3 0.507 111.9 103.1 90.5 -2.5 60.1 89.9 106.2 123 1124 C K < - 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0 0 33 -3,-0.4 3,-1.2 21,-0.2 -1,-0.3 -0.992 63.0-121.2-157.5 155.2 76.7 93.5 74.3 139 1140 C P T >> S+ 0 0 78 0, 0.0 3,-1.6 0, 0.0 4,-0.5 0.751 102.8 76.0 -68.4 -21.4 75.4 90.3 75.8 140 1141 C Q H 3> S+ 0 0 127 1,-0.3 4,-1.7 2,-0.2 3,-0.3 0.727 77.3 75.6 -65.5 -16.1 76.6 91.3 79.3 141 1142 C Q H <> S+ 0 0 4 -3,-1.2 4,-2.5 1,-0.2 -1,-0.3 0.835 86.4 63.7 -66.4 -27.1 73.7 93.8 79.6 142 1143 C A H <> S+ 0 0 1 -3,-1.6 4,-2.5 -4,-0.2 -1,-0.2 0.938 104.8 42.1 -66.0 -42.3 71.4 90.9 80.3 143 1144 C E H X S+ 0 0 95 -4,-0.5 4,-2.6 -3,-0.3 -1,-0.2 0.897 113.4 52.9 -71.7 -34.5 73.0 89.8 83.5 144 1145 C E H X S+ 0 0 115 -4,-1.7 4,-1.3 2,-0.2 -2,-0.2 0.943 113.8 43.9 -64.4 -43.0 73.4 93.4 84.7 145 1146 C A H X>S+ 0 0 0 -4,-2.5 5,-2.5 2,-0.2 4,-0.6 0.909 112.6 51.9 -67.9 -41.1 69.7 94.0 84.1 146 1147 C L H ><5S+ 0 0 2 -4,-2.5 3,-1.6 1,-0.2 -2,-0.2 0.932 107.3 52.8 -62.5 -45.7 68.7 90.6 85.7 147 1148 C V H 3<5S+ 0 0 30 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.861 107.1 53.4 -57.6 -34.8 70.7 91.4 88.8 148 1149 C S H 3<5S- 0 0 14 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.657 128.1 -95.5 -78.8 -11.1 68.8 94.7 89.1 149 1150 C G T <<5S+ 0 0 1 -3,-1.6 -20,-3.2 -4,-0.6 2,-0.6 0.600 82.0 130.8 109.4 9.6 65.4 93.0 89.0 150 1151 C V E < +p 129 0F 2 -5,-2.5 -1,-0.3 -22,-0.2 -20,-0.2 -0.876 23.8 172.3-101.9 122.7 64.5 93.3 85.3 151 1152 C T E + 0 0 2 -22,-1.8 38,-2.9 -2,-0.6 2,-0.4 0.549 62.8 51.0-109.6 -4.6 63.4 90.0 83.8 152 1153 C T E -pq 130 189F 0 -23,-1.7 -21,-2.3 36,-0.2 2,-0.4 -0.996 61.9-170.5-136.5 131.2 62.2 91.0 80.3 153 1154 C M E -pq 131 190F 0 36,-2.8 38,-1.2 -2,-0.4 2,-0.5 -0.992 1.5-174.0-131.2 124.7 64.3 93.1 77.8 154 1155 C V E + q 0 191F 0 -23,-2.6 -20,-1.9 -2,-0.4 2,-0.3 -0.975 35.3 102.5-117.8 126.2 62.9 94.6 74.5 155 1156 C G E -pq 134 192F 0 36,-1.7 38,-1.9 -2,-0.5 2,-0.3 -0.967 53.6-111.3-178.0-167.3 65.2 96.2 72.2 156 1157 C G E +p 135 0F 0 -22,-1.7 -20,-1.9 -2,-0.3 13,-0.4 -0.977 44.7 107.0-145.8 160.0 67.2 96.0 69.0 157 1158 C G - 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