==== 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 1EJV . 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) . 28550.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 512 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 60 8.0 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 . 59 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 91 12.1 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 3 2 1 2 3 2 1 0 1 1 1 0 1 0 1 0 0 0 1 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 49 0, 0.0 569,-3.0 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 151.7 46.9 82.3 122.6 2 1003 C N E -A 569 0A 92 567,-0.2 2,-0.3 617,-0.0 567,-0.2 -0.863 360.0-169.7-132.1 165.5 48.1 85.8 122.0 3 1004 C I E -A 568 0A 17 565,-1.3 565,-2.9 -2,-0.3 2,-0.1 -0.951 30.7-107.2-158.6 135.7 51.3 87.4 120.7 4 1005 C S E > -A 567 0A 52 -2,-0.3 4,-2.5 563,-0.2 563,-0.3 -0.418 30.0-121.6 -66.1 142.9 52.6 91.0 120.6 5 1006 C R H > S+ 0 0 26 561,-2.2 4,-2.7 1,-0.2 -1,-0.1 0.800 111.2 54.2 -55.6 -31.2 52.5 92.6 117.1 6 1007 C Q H > S+ 0 0 91 560,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.948 109.4 44.6 -69.7 -48.9 56.2 93.2 117.3 7 1008 C A H > S+ 0 0 34 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.879 114.4 52.6 -61.9 -35.6 57.2 89.6 118.0 8 1009 C Y H X>S+ 0 0 1 -4,-2.5 4,-3.2 2,-0.2 5,-0.6 0.966 107.0 50.7 -63.5 -50.7 54.7 88.7 115.3 9 1010 C A H X5S+ 0 0 2 -4,-2.7 4,-1.4 1,-0.3 -2,-0.2 0.862 110.6 50.0 -54.8 -39.3 56.3 91.0 112.8 10 1011 C D H <5S+ 0 0 120 -4,-2.2 -1,-0.3 2,-0.2 -2,-0.2 0.846 117.8 40.0 -68.9 -33.6 59.7 89.5 113.6 11 1012 C M H <5S+ 0 0 60 -4,-1.7 -2,-0.2 -3,-0.4 -3,-0.2 0.886 136.0 9.5 -84.3 -44.7 58.4 86.0 113.1 12 1013 C F H <5S- 0 0 2 -4,-3.2 110,-0.4 1,-0.4 -3,-0.2 0.322 107.6-104.5-122.1 7.9 56.1 86.2 110.1 13 1014 C G << - 0 0 1 -4,-1.4 -1,-0.4 -5,-0.6 -2,-0.1 -0.214 60.5 -36.1 90.3 169.9 56.8 89.7 108.8 14 1015 C P - 0 0 3 0, 0.0 2,-0.2 0, 0.0 108,-0.1 -0.172 59.2-161.9 -64.2 159.4 54.5 92.8 109.1 15 1016 C T > - 0 0 1 1,-0.1 3,-2.9 -10,-0.1 16,-0.4 -0.709 43.2 -30.5-131.6-176.2 50.7 92.6 109.0 16 1017 C V T 3 S+ 0 0 52 1,-0.3 16,-0.2 -2,-0.2 -1,-0.1 -0.085 129.1 14.7 -42.8 116.5 47.7 94.8 108.4 17 1018 C G T 3 S+ 0 0 5 14,-1.9 -1,-0.3 1,-0.4 2,-0.2 0.088 94.6 122.3 104.4 -22.8 48.5 98.3 109.6 18 1019 C D < - 0 0 0 -3,-2.9 13,-2.5 13,-0.1 -1,-0.4 -0.502 50.2-146.6 -76.1 142.1 52.3 97.9 109.9 19 1020 C K E -BC 30 562B 47 543,-2.0 543,-2.6 11,-0.2 2,-0.4 -0.812 9.7-163.8-109.3 151.5 54.4 100.3 107.8 20 1021 C V E -BC 29 561B 0 9,-2.3 9,-2.4 -2,-0.3 2,-0.4 -0.999 18.9-128.6-136.9 134.4 57.8 99.5 106.2 21 1022 C R E -B 28 0B 16 539,-2.5 2,-0.8 -2,-0.4 7,-0.2 -0.707 24.7-126.9 -83.5 127.7 60.4 102.0 104.9 22 1023 C L > - 0 0 1 5,-2.5 3,-2.1 -2,-0.4 5,-0.3 -0.690 63.9 -59.8 -77.8 110.7 61.5 101.3 101.3 23 1024 C A T 3 S- 0 0 0 401,-2.5 536,-2.4 -2,-0.8 537,-0.3 -0.156 105.9 -33.2 50.7-137.3 65.3 101.1 101.5 24 1025 C D T 3 S+ 0 0 10 534,-0.3 -1,-0.2 403,-0.2 2,-0.1 -0.012 112.4 107.5-102.1 27.0 66.8 104.4 102.8 25 1026 C T S < S- 0 0 0 -3,-2.1 534,-0.1 2,-0.2 338,-0.1 -0.299 80.7-114.8 -92.7-176.5 64.1 106.6 101.1 26 1027 C E S S+ 0 0 78 -2,-0.1 2,-0.4 -5,-0.1 -3,-0.1 0.326 79.1 114.8 -99.6 3.7 61.3 108.5 102.8 27 1028 C L - 0 0 1 -5,-0.3 -5,-2.5 335,-0.1 2,-0.4 -0.630 46.7-169.3 -80.3 129.0 58.7 106.3 101.1 28 1029 C W E -B 21 0B 41 -2,-0.4 355,-2.9 -7,-0.2 2,-0.3 -0.972 6.7-160.1-122.4 133.1 56.6 104.2 103.5 29 1030 C I E -B 20 0B 1 -9,-2.4 -9,-2.3 -2,-0.4 2,-0.4 -0.794 6.9-151.5-107.7 151.6 54.2 101.4 102.5 30 1031 C E E -B 19 0B 45 -2,-0.3 2,-0.5 -11,-0.2 -11,-0.2 -0.995 26.0-112.0-125.8 129.9 51.5 100.2 104.8 31 1032 C V - 0 0 2 -13,-2.5 -14,-1.9 -2,-0.4 50,-0.2 -0.465 32.4-173.6 -62.9 112.9 50.2 96.6 104.7 32 1033 C E + 0 0 74 48,-2.3 2,-0.3 -2,-0.5 49,-0.2 0.809 62.7 5.1 -79.9 -33.4 46.6 97.0 103.3 33 1034 C D E -d 81 0C 85 47,-0.7 49,-3.0 -17,-0.0 2,-0.4 -0.984 54.6-153.0-151.6 157.2 45.5 93.4 103.7 34 1035 C D E -d 82 0C 19 -2,-0.3 49,-0.2 47,-0.2 -19,-0.0 -0.980 2.5-163.8-136.3 120.1 46.6 90.0 105.1 35 1036 C L + 0 0 65 47,-2.7 48,-0.1 -2,-0.4 49,-0.1 0.287 58.1 102.0 -88.0 9.8 45.3 86.8 103.6 36 1037 C T S S- 0 0 26 46,-0.2 2,-0.5 61,-0.1 -2,-0.1 -0.254 70.9-126.3 -87.2 177.5 46.4 84.5 106.5 37 1038 C T > - 0 0 35 68,-0.1 3,-3.1 -2,-0.1 4,-0.2 -0.975 40.8-112.2-123.7 105.4 44.5 83.0 109.4 38 1039 C Y T 3 S+ 0 0 65 -2,-0.5 533,-2.4 1,-0.3 534,-0.3 -0.166 103.8 22.2 -45.4 117.1 46.3 84.0 112.6 39 1040 C G T 3 S+ 0 0 0 531,-0.2 -1,-0.3 532,-0.1 579,-0.1 0.103 111.6 75.0 108.9 -17.6 47.8 80.9 114.1 40 1041 C E < + 0 0 0 -3,-3.1 -2,-0.2 580,-0.1 530,-0.0 0.226 60.5 135.8-110.9 15.4 47.8 78.9 110.8 41 1042 C E - 0 0 1 -4,-0.2 2,-0.5 1,-0.1 8,-0.1 -0.265 54.7-121.7 -62.5 146.5 50.7 80.6 109.0 42 1043 C V + 0 0 0 7,-0.1 2,-0.4 56,-0.1 -1,-0.1 -0.813 34.2 173.4 -97.4 130.8 53.1 78.3 107.3 43 1044 C K - 0 0 30 -2,-0.5 7,-2.1 2,-0.1 6,-0.7 -0.991 20.9-139.2-134.4 142.5 56.8 78.3 108.3 44 1045 C F + 0 0 128 -2,-0.4 2,-0.3 5,-0.2 7,-0.1 -0.858 51.0 79.0-106.4 139.1 59.6 76.0 107.2 45 1046 C G S > S- 0 0 23 -2,-0.4 3,-2.1 5,-0.2 2,-0.2 -0.865 83.6 -32.8 152.7 175.1 62.3 74.6 109.5 46 1047 C G T 3 S- 0 0 80 1,-0.3 3,-0.1 -2,-0.3 -2,-0.0 -0.412 130.2 -2.2 -62.6 121.5 63.1 72.0 112.1 47 1048 C G T 3 S+ 0 0 23 -2,-0.2 546,-0.3 1,-0.2 -1,-0.3 0.462 109.3 125.3 76.4 4.3 60.0 71.4 114.1 48 1049 C K S < S- 0 0 64 -3,-2.1 -1,-0.2 544,-0.1 546,-0.2 0.093 73.9 -84.5 -83.6-164.5 58.1 74.0 112.2 49 1050 C V S S+ 0 0 0 -6,-0.7 6,-2.6 1,-0.2 2,-2.1 0.899 101.4 77.7 -74.2 -46.3 54.8 73.8 110.2 50 1051 C I S S+ 0 0 9 -7,-2.1 2,-0.3 5,-0.2 -5,-0.2 -0.440 70.1 120.0 -72.1 82.2 55.6 72.5 106.7 51 1052 C R S > >S- 0 0 72 -2,-2.1 3,-2.5 -4,-0.1 5,-2.0 -0.974 73.6 -70.1-143.4 151.9 56.0 68.8 107.6 52 1053 C D B 3 5S+n 56 0D 73 -2,-0.3 596,-0.3 1,-0.3 5,-0.2 -0.118 119.9 5.4 -44.6 126.3 54.2 65.6 106.6 53 1054 C G T 3 5S+ 0 0 1 3,-1.7 593,-0.3 1,-0.2 -1,-0.3 0.203 129.5 64.1 82.6 -16.6 50.7 65.4 107.9 54 1055 C M T < 5S- 0 0 10 -3,-2.5 49,-0.3 2,-0.2 -1,-0.2 0.550 125.5 -14.8-102.3-109.4 51.0 68.9 109.3 55 1056 C G T 5S+ 0 0 0 -6,-2.6 2,-0.5 -7,-0.2 56,-0.3 0.631 128.3 72.3 -74.2 -11.3 51.4 71.8 106.9 56 1057 C Q B - 0 0 132 52,-0.1 3,-2.0 53,-0.1 4,-0.1 -0.338 38.8 -95.6 -75.9 165.9 49.9 64.1 94.3 61 1062 C A G > S+ 0 0 58 1,-0.3 3,-1.7 2,-0.2 -1,-0.1 0.857 123.9 59.2 -51.2 -40.7 52.0 66.5 92.3 62 1063 C A G 3 S+ 0 0 68 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.739 106.9 48.5 -62.3 -23.6 49.1 67.4 90.1 63 1064 C D G < S+ 0 0 107 -3,-2.0 2,-0.3 2,-0.1 -1,-0.3 0.168 109.4 54.7-104.6 15.9 47.1 68.6 93.1 64 1065 C C S < S- 0 0 3 -3,-1.7 47,-0.2 -4,-0.1 2,-0.1 -0.992 85.5-100.1-147.8 152.1 49.8 70.8 94.8 65 1066 C V - 0 0 0 45,-1.8 47,-0.4 -2,-0.3 23,-0.2 -0.371 19.1-137.1 -72.0 150.0 52.0 73.7 93.7 66 1067 C D S S+ 0 0 66 21,-1.3 50,-3.0 1,-0.2 2,-0.3 0.815 88.2 20.4 -75.0 -31.2 55.6 73.3 92.8 67 1068 C L E -Ef 87 116C 13 20,-2.2 20,-2.9 48,-0.2 2,-0.4 -0.997 60.6-168.2-143.0 143.9 56.7 76.3 94.8 68 1069 C V E -Ef 86 117C 0 48,-1.6 50,-2.5 -2,-0.3 2,-0.7 -1.000 10.7-155.4-133.1 129.4 55.3 78.4 97.6 69 1070 C L E > -Ef 85 118C 0 16,-2.4 16,-2.2 -2,-0.4 3,-0.6 -0.951 28.9-141.9-103.1 108.5 56.7 81.7 98.8 70 1071 C T E 3 - f 0 119C 0 48,-2.0 50,-1.5 -2,-0.7 14,-0.1 -0.523 63.8 -9.3 -79.7 142.7 55.6 82.0 102.4 71 1072 C N E 3 S+ 0 0 8 -2,-0.2 51,-0.6 1,-0.2 52,-0.4 0.798 84.1 175.8 43.5 47.0 54.5 85.1 104.2 72 1073 C A E < -E 83 0C 0 11,-1.8 11,-2.6 -3,-0.6 2,-0.9 -0.504 32.5-137.9 -83.8 144.2 55.4 87.5 101.3 73 1074 C L E -Eg 82 124C 5 50,-2.3 52,-2.4 47,-0.4 2,-0.2 -0.882 28.2-153.8-100.5 99.2 54.7 91.2 101.4 74 1075 C I E -Eg 81 125C 0 7,-2.9 7,-0.7 -2,-0.9 2,-0.4 -0.564 14.4-171.0 -77.5 140.5 53.5 91.8 97.8 75 1076 C V E +E 80 0C 0 50,-1.9 52,-0.4 -2,-0.2 2,-0.3 -0.970 28.2 139.6-131.7 109.7 53.9 95.2 96.2 76 1077 C D E > -E 79 0C 0 3,-1.9 3,-1.6 -2,-0.4 316,-0.1 -0.945 66.9 -92.7-146.4 168.3 52.0 95.5 92.9 77 1078 C H T 3 S+ 0 0 27 -2,-0.3 3,-0.1 1,-0.3 311,-0.1 0.730 124.6 47.1 -55.1 -26.4 49.9 97.9 90.9 78 1079 C W T 3 S- 0 0 91 1,-0.3 -1,-0.3 310,-0.0 2,-0.3 0.545 123.7 -32.2 -94.7 -11.2 46.8 96.3 92.4 79 1080 C G E < - E 0 76C 2 -3,-1.6 -3,-1.9 305,-0.1 2,-0.6 -0.890 38.6-117.0 166.7 163.6 47.8 96.2 96.0 80 1081 C I E + E 0 75C 0 -2,-0.3 -48,-2.3 -5,-0.2 -47,-0.7 -0.922 55.6 153.8-122.0 92.0 50.3 95.9 98.9 81 1082 C V E -dE 33 74C 14 -7,-0.7 -7,-2.9 -2,-0.6 2,-0.5 -0.926 45.1-124.6-127.9 156.5 49.1 92.8 100.7 82 1083 C K E +dE 34 73C 4 -49,-3.0 -47,-2.7 -2,-0.3 2,-0.3 -0.856 54.3 123.0 -98.8 124.1 50.6 90.1 102.9 83 1084 C A E - E 0 72C 4 -11,-2.6 -11,-1.8 -2,-0.5 2,-0.3 -0.984 58.6 -91.2-168.6 172.6 50.0 86.5 101.5 84 1085 C D E -H 96 0C 4 12,-2.6 12,-2.4 -2,-0.3 2,-0.5 -0.734 35.9-144.6 -94.4 147.8 51.4 83.2 100.4 85 1086 C I E -HE 95 69C 0 -16,-2.2 -16,-2.4 -2,-0.3 2,-0.4 -0.966 7.8-158.6-120.3 129.0 52.3 82.7 96.7 86 1087 C G E -HE 94 68C 0 8,-3.1 7,-2.5 -2,-0.5 8,-1.4 -0.898 5.6-168.2-108.0 134.8 51.8 79.5 94.8 87 1088 C V E +HE 92 67C 4 -20,-2.9 -20,-2.2 -2,-0.4 -21,-1.3 -0.985 9.2 173.1-124.7 129.6 53.7 78.7 91.6 88 1089 C K E > -H 91 0C 53 3,-2.5 3,-2.3 -2,-0.4 -23,-0.1 -0.999 66.0 -2.5-139.1 136.9 52.8 75.8 89.4 89 1090 C D T 3 S- 0 0 128 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.779 128.8 -56.9 54.4 32.6 54.2 74.8 85.9 90 1091 C G T 3 S+ 0 0 15 1,-0.3 327,-2.9 348,-0.1 -1,-0.3 0.459 120.2 98.3 81.3 2.6 56.4 77.9 85.8 91 1092 C R E < S-HI 88 416C 79 -3,-2.3 -3,-2.5 325,-0.3 2,-0.7 -0.783 86.1 -88.9-123.6 164.6 53.3 80.2 86.3 92 1093 C I E +H 87 0C 3 323,-2.8 322,-3.0 320,-0.3 -5,-0.2 -0.599 40.7 178.2 -73.7 112.7 51.5 82.0 89.1 93 1094 C F E - 0 0 80 -7,-2.5 2,-0.3 -2,-0.7 -6,-0.2 0.915 55.7 -32.6 -81.5 -51.2 49.0 79.6 90.5 94 1095 C A E -H 86 0C 18 -8,-1.4 -8,-3.1 319,-0.1 2,-0.5 -0.986 37.9-135.7-168.3 162.5 47.5 81.6 93.3 95 1096 C I E +H 85 0C 43 -2,-0.3 2,-0.2 -10,-0.2 -10,-0.2 -0.999 68.3 72.1-125.4 119.4 47.9 84.3 95.9 96 1097 C G E S-H 84 0C 6 -12,-2.4 -12,-2.6 -2,-0.5 2,-0.5 -0.776 86.2 -16.9 177.7-126.0 46.3 83.3 99.2 97 1098 C K - 0 0 4 9,-0.3 11,-3.0 -2,-0.2 12,-2.1 -0.950 53.4-157.7-122.0 112.5 46.7 80.9 102.1 98 1099 C A E +o 109 0E 0 -2,-0.5 2,-0.3 10,-0.2 -56,-0.1 -0.502 39.7 85.8 -86.4 157.1 49.1 77.9 101.8 99 1100 C G E S-o 110 0E 0 10,-1.9 12,-1.8 -2,-0.2 -42,-0.2 -0.979 76.4 -47.7 152.8-162.8 48.9 74.8 103.8 100 1101 C N >> - 0 0 2 -2,-0.3 4,-2.8 10,-0.2 3,-1.4 -0.937 31.8-154.3-114.6 113.2 47.3 71.4 104.2 101 1102 C P T 34 S+ 0 0 34 0, 0.0 541,-2.2 0, 0.0 542,-0.3 0.629 88.5 74.6 -57.8 -17.5 43.5 71.2 103.9 102 1103 C D T 34 S+ 0 0 28 539,-0.2 542,-2.1 540,-0.2 541,-1.5 0.882 122.1 0.8 -67.1 -35.5 43.5 68.0 106.0 103 1104 C I T <4 S+ 0 0 0 -3,-1.4 537,-3.0 -49,-0.3 538,-0.2 0.502 119.5 76.6-129.1 -12.4 44.2 69.9 109.3 104 1105 C Q < - 0 0 2 -4,-2.8 3,-0.4 536,-0.2 2,-0.2 -0.796 69.1-130.1-108.1 148.0 44.3 73.6 108.3 105 1106 C P S S+ 0 0 24 0, 0.0 -68,-0.1 0, 0.0 -3,-0.1 -0.541 80.9 14.2 -91.4 157.6 41.4 76.0 107.5 106 1107 C N S S+ 0 0 112 1,-0.2 2,-0.4 -2,-0.2 -9,-0.3 0.674 75.5 167.3 53.4 28.9 41.1 78.3 104.5 107 1108 C V + 0 0 28 -3,-0.4 -9,-0.2 1,-0.2 -1,-0.2 -0.578 12.3 160.0 -76.6 122.9 43.9 76.7 102.5 108 1109 C T + 0 0 81 -11,-3.0 -10,-0.2 -2,-0.4 -1,-0.2 0.490 67.7 55.9-114.6 -18.5 43.8 77.9 98.9 109 1110 C I E S-o 98 0E 0 -12,-2.1 -10,-1.9 -15,-0.0 2,-0.3 -0.922 82.6-146.1-120.8 100.1 47.4 76.9 98.0 110 1111 C P E -o 99 0E 23 0, 0.0 -45,-1.8 0, 0.0 2,-0.5 -0.516 6.1-155.3 -71.6 128.9 48.1 73.2 98.7 111 1112 C I + 0 0 0 -12,-1.8 -54,-3.3 -56,-0.3 -52,-0.2 -0.903 25.7 158.1-105.6 126.6 51.5 72.1 99.8 112 1113 C G > - 0 0 0 -2,-0.5 3,-1.9 -47,-0.4 -54,-0.1 -0.621 58.8 -72.6-131.9-166.7 52.5 68.6 99.1 113 1114 C A T 3 S+ 0 0 86 -54,-0.6 -53,-0.1 -56,-0.3 -55,-0.1 0.809 128.5 56.3 -62.4 -30.5 55.6 66.3 98.7 114 1115 C A T 3 S+ 0 0 47 -55,-0.3 2,-0.6 2,-0.0 -1,-0.3 0.331 85.7 109.8 -85.4 9.7 56.3 68.0 95.4 115 1116 C T < - 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0 0 46 -2,-1.3 33,-0.1 29,-0.3 32,-0.1 -0.946 61.8-141.1-166.3 147.8 61.8 102.8 55.1 199 1200 C S S S+ 0 0 80 -2,-0.3 -2,-0.1 31,-0.1 28,-0.0 0.150 83.8 83.8-101.0 16.4 59.1 104.0 52.7 200 1201 C Q >> - 0 0 95 1,-0.1 3,-1.2 27,-0.0 4,-0.6 -0.962 66.4-156.6-119.2 108.7 58.5 100.6 51.2 201 1202 C P H >> S+ 0 0 36 0, 0.0 4,-2.5 0, 0.0 3,-1.1 0.829 89.0 63.0 -55.7 -36.4 56.1 98.6 53.3 202 1203 C D H 3> S+ 0 0 90 1,-0.3 4,-2.0 2,-0.2 5,-0.1 0.814 96.0 59.3 -60.4 -30.9 57.4 95.2 52.0 203 1204 C A H <> S+ 0 0 29 -3,-1.2 4,-0.6 1,-0.2 -1,-0.3 0.779 111.4 42.1 -67.7 -26.7 60.8 95.9 53.5 204 1205 C L H XX S+ 0 0 0 -3,-1.1 4,-2.2 -4,-0.6 3,-0.5 0.888 108.7 56.0 -84.3 -45.5 59.1 96.2 56.9 205 1206 C R H 3X S+ 0 0 65 -4,-2.5 4,-3.2 1,-0.3 5,-0.3 0.892 103.2 58.0 -54.0 -42.0 56.7 93.2 56.5 206 1207 C E H 3X S+ 0 0 122 -4,-2.0 4,-1.2 1,-0.2 -1,-0.3 0.882 106.8 47.6 -54.5 -44.7 59.8 91.0 55.8 207 1208 C Q H S+ 0 0 14 -4,-0.6 5,-1.4 -3,-0.5 4,-1.3 0.925 112.8 47.3 -65.8 -44.4 61.3 92.0 59.2 208 1209 C V H ><5S+ 0 0 0 -4,-2.2 3,-0.9 1,-0.3 275,-0.5 0.950 113.2 48.6 -62.4 -46.1 58.0 91.3 61.1 209 1210 C A H 3<5S+ 0 0 32 -4,-3.2 -1,-0.3 1,-0.3 -2,-0.2 0.770 106.8 59.9 -63.3 -25.9 57.7 88.0 59.3 210 1211 C A H 3<5S- 0 0 14 -4,-1.2 -1,-0.3 -5,-0.3 -2,-0.2 0.791 130.8 -83.5 -73.2 -30.5 61.3 87.4 60.3 211 1212 C G T <<5S+ 0 0 0 -4,-1.3 -19,-0.3 -3,-0.9 269,-0.3 0.313 78.0 135.0 149.7 -17.5 60.6 87.6 64.0 212 1213 C V < - 0 0 0 -5,-1.4 -1,-0.2 267,-0.1 -19,-0.2 -0.257 39.4-154.8 -65.4 146.3 60.5 91.2 65.4 213 1214 C I S S+ 0 0 0 -21,-2.5 28,-1.4 265,-0.1 2,-0.3 0.234 75.9 6.3-101.3 9.9 57.8 92.2 67.8 214 1215 C G E -tu 193 241G 0 -22,-0.7 -20,-2.5 26,-0.2 2,-0.4 -0.983 66.3-117.7-176.0 170.9 58.1 95.9 66.8 215 1216 C L E -tu 194 242G 0 26,-2.2 28,-2.5 -2,-0.3 2,-0.5 -0.986 18.8-145.7-129.6 134.2 59.7 98.5 64.7 216 1217 C X E -tu 195 243G 2 -22,-2.9 -20,-2.2 -2,-0.4 2,-0.7 -0.886 5.2-159.8-102.1 123.6 62.0 101.4 65.8 217 1218 C I E + u 0 244G 1 26,-3.0 28,-1.8 -2,-0.5 2,-0.4 -0.918 20.1 178.0-101.1 116.6 61.8 104.7 63.9 218 1219 C H E > - u 0 245G 6 -2,-0.7 3,-1.9 26,-0.2 4,-0.4 -0.972 36.8-134.7-124.6 138.8 65.0 106.6 64.6 219 1220 C E G > S+ 0 0 28 26,-0.9 3,-0.9 -2,-0.4 4,-0.3 0.793 104.6 66.7 -58.9 -27.4 66.1 110.0 63.3 220 1221 C D G 3 S+ 0 0 96 1,-0.3 -1,-0.3 2,-0.2 -53,-0.1 0.685 108.3 38.9 -67.7 -19.8 69.6 108.6 62.5 221 1222 C W G < S- 0 0 95 -3,-1.9 -1,-0.3 -58,-0.0 -2,-0.2 0.360 139.6 -79.9-106.3 -1.8 68.0 106.4 59.9 222 1223 C G < - 0 0 26 -3,-0.9 2,-1.9 -4,-0.4 -3,-0.2 0.834 38.0-156.3 100.9 80.7 65.6 109.2 58.8 223 1224 C A + 0 0 6 -4,-0.3 24,-0.4 -6,-0.1 29,-0.2 -0.430 39.9 154.5 -84.0 64.2 62.5 109.9 61.0 224 1225 C T > - 0 0 48 -2,-1.9 4,-2.7 1,-0.1 5,-0.2 -0.530 59.1-108.8 -89.9 160.3 60.6 111.5 58.1 225 1226 C P H > S+ 0 0 46 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.831 119.9 52.7 -56.5 -36.4 56.8 111.7 57.8 226 1227 C A H > S+ 0 0 54 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.950 111.0 45.4 -64.7 -49.7 56.9 109.2 54.9 227 1228 C A H > S+ 0 0 3 2,-0.2 4,-2.2 1,-0.2 -29,-0.3 0.924 112.7 51.3 -59.0 -47.6 58.9 106.7 57.0 228 1229 C I H X S+ 0 0 1 -4,-2.7 4,-2.2 1,-0.2 5,-0.2 0.937 110.6 47.9 -56.2 -51.4 56.7 107.1 60.0 229 1230 C D H X S+ 0 0 73 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.921 110.2 52.0 -57.2 -47.2 53.5 106.6 58.1 230 1231 C C H X S+ 0 0 12 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.890 110.2 48.9 -58.9 -40.6 54.9 103.5 56.4 231 1232 C A H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.908 111.3 48.2 -66.9 -43.2 55.9 101.9 59.7 232 1233 C L H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.854 107.7 56.3 -66.6 -35.5 52.5 102.6 61.3 233 1234 C T H X S+ 0 0 51 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.949 111.0 42.7 -62.2 -46.4 50.6 101.1 58.3 234 1235 C V H X S+ 0 0 0 -4,-1.8 4,-2.9 1,-0.2 -1,-0.2 0.872 111.9 56.8 -67.4 -33.5 52.5 97.8 58.6 235 1236 C A H X>S+ 0 0 0 -4,-2.0 4,-1.4 1,-0.2 5,-1.1 0.925 105.4 48.6 -63.6 -45.7 52.0 98.0 62.4 236 1237 C D H <5S+ 0 0 75 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.808 115.2 49.0 -64.1 -28.3 48.2 98.2 62.2 237 1238 C E H <5S+ 0 0 108 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.936 120.8 30.0 -75.2 -50.2 48.5 95.3 59.8 238 1239 C M H <5S- 0 0 36 -4,-2.9 243,-0.4 -5,-0.1 244,-0.3 0.352 102.9-118.5 -97.5 6.6 50.7 92.9 61.7 239 1240 C D T <5 + 0 0 31 -4,-1.4 2,-0.3 1,-0.2 242,-0.2 0.943 66.0 134.7 54.7 56.8 49.7 93.9 65.3 240 1241 C I < - 0 0 0 -5,-1.1 -26,-0.2 -6,-0.1 2,-0.2 -0.882 53.1-107.7-130.0 159.6 53.2 95.1 66.4 241 1242 C Q E -u 214 0G 0 -28,-1.4 -26,-2.2 -2,-0.3 2,-0.4 -0.582 19.2-144.2 -92.1 152.6 54.3 98.2 68.3 242 1243 C V E -u 215 0G 1 -28,-0.2 26,-2.9 -2,-0.2 2,-0.5 -0.952 8.0-159.7-116.1 130.9 56.2 101.2 66.9 243 1244 C A E -uv 216 268G 0 -28,-2.5 -26,-3.0 -2,-0.4 2,-0.4 -0.940 15.3-151.4-108.5 134.0 58.8 103.0 69.0 244 1245 C L E +uv 217 269G 5 24,-2.6 26,-2.2 -2,-0.5 2,-0.4 -0.902 28.7 173.8-119.0 138.4 59.7 106.6 68.0 245 1246 C H E -u 218 0G 7 -28,-1.8 -26,-0.9 -2,-0.4 33,-0.2 -0.899 39.2-148.0-131.7 94.4 62.8 108.8 68.3 246 1247 C S - 0 0 3 -2,-0.4 2,-1.1 31,-0.3 32,-0.4 0.090 26.4 -70.6 -66.1 173.6 61.7 111.9 66.3 247 1248 C D > - 0 0 6 -24,-0.4 3,-0.9 1,-0.2 33,-0.3 -0.534 42.9-178.8 -67.3 95.5 63.4 114.4 64.2 248 1249 C T T 3 S+ 0 0 3 -2,-1.1 32,-1.4 1,-0.2 -1,-0.2 0.892 80.7 57.2 -64.4 -39.1 65.5 116.5 66.6 249 1250 C L T 3 S- 0 0 101 30,-0.1 -1,-0.2 -3,-0.1 -2,-0.1 0.549 100.9-131.9 -69.2 -12.7 66.7 118.8 63.8 250 1251 C N < + 0 0 41 -3,-0.9 -2,-0.1 1,-0.1 -1,-0.1 0.744 59.8 144.6 62.3 24.7 63.2 119.8 62.7 251 1252 C E S S+ 0 0 150 1,-0.2 3,-0.1 3,-0.0 -1,-0.1 0.866 71.3 28.5 -60.0 -47.1 64.4 119.0 59.2 252 1253 C S S S- 0 0 44 1,-0.3 2,-0.3 -29,-0.2 -1,-0.2 0.472 135.2 -54.3 -95.9 -7.2 61.2 117.5 57.8 253 1254 C G - 0 0 14 -6,-0.1 -1,-0.3 -29,-0.0 2,-0.1 -0.926 63.9 -72.7 155.2-178.6 58.9 119.5 60.0 254 1255 C F > - 0 0 110 -2,-0.3 4,-1.9 -3,-0.1 3,-0.4 -0.290 58.4 -81.4 -95.9-173.0 58.2 120.4 63.7 255 1256 C V H > S+ 0 0 5 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.933 129.1 54.0 -58.0 -42.5 56.6 118.3 66.5 256 1257 C E H > S+ 0 0 107 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.819 105.2 54.3 -62.8 -31.9 53.1 119.0 65.2 257 1258 C D H > S+ 0 0 75 -3,-0.4 4,-2.7 2,-0.2 -1,-0.2 0.949 109.2 47.2 -67.7 -45.4 54.0 117.8 61.8 258 1259 C T H X S+ 0 0 5 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.947 111.0 51.7 -59.2 -46.7 55.2 114.5 63.2 259 1260 C L H X>S+ 0 0 35 -4,-2.7 4,-1.1 1,-0.2 5,-0.6 0.874 109.6 51.1 -57.7 -37.1 52.0 114.2 65.3 260 1261 C A H ><5S+ 0 0 71 -4,-1.9 3,-0.8 -5,-0.2 -1,-0.2 0.949 107.7 51.6 -64.7 -48.7 50.1 114.8 62.1 261 1262 C A H 3<5S+ 0 0 23 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.881 105.3 56.0 -56.3 -40.8 52.0 112.0 60.3 262 1263 C I H ><5S- 0 0 3 -4,-2.4 3,-1.5 -5,-0.2 -1,-0.3 0.813 91.4-160.2 -62.2 -31.9 51.2 109.6 63.1 263 1264 C G T <<5 - 0 0 54 -4,-1.1 -3,-0.1 -3,-0.8 3,-0.1 0.815 61.4 -56.1 53.6 43.4 47.5 110.4 62.6 264 1265 C G T 3 -vw 244 294G 5 24,-1.2 26,-1.8 -2,-0.7 3,-0.5 -0.775 11.4-143.4 -90.6 118.9 57.4 107.6 72.2 270 1271 C F T 3 S- 0 0 3 -26,-2.2 -24,-0.2 -2,-0.6 26,-0.1 -0.591 76.5 -2.8 -78.0 150.0 60.9 106.9 73.6 271 1272 C H T > S- 0 0 2 -2,-0.2 3,-1.5 1,-0.1 -1,-0.2 0.850 74.5-173.6 30.2 63.0 62.5 109.4 76.0 272 1273 C T T < S+ 0 0 0 23,-2.5 14,-0.2 -3,-0.5 -1,-0.1 0.653 71.7 71.5 -56.8 -22.8 59.6 111.8 75.6 273 1274 C E T 3 S- 0 0 3 22,-0.3 11,-0.5 10,-0.1 -1,-0.3 0.881 102.6-127.2 -64.2 -38.6 61.4 114.6 77.6 274 1275 C G S X S+ 0 0 0 -3,-1.5 3,-2.5 3,-0.2 -2,-0.1 -0.015 81.7 102.3 121.8 -36.7 63.8 115.1 74.7 275 1276 C A T 3 S+ 0 0 1 1,-0.3 3,-0.1 50,-0.1 -3,-0.1 0.858 89.9 48.3 -50.6 -40.1 67.4 114.9 76.0 276 1277 C G T 3 S- 0 0 5 1,-0.3 -1,-0.3 -5,-0.2 2,-0.1 0.358 133.8 -54.8 -83.2 3.5 67.7 111.4 74.6 277 1278 C G S < S+ 0 0 1 -3,-2.5 -1,-0.3 46,-0.2 -31,-0.3 -0.184 79.5 101.5 131.3 141.8 66.3 112.5 71.2 278 1279 C G S S- 0 0 0 -32,-0.4 5,-0.1 -33,-0.2 -1,-0.1 -0.535 72.6 -29.5 135.1 157.7 63.3 114.2 69.7 279 1280 C H S > S- 0 0 0 -2,-0.2 4,-1.3 3,-0.1 -31,-0.2 -0.033 81.9 -94.4 -38.8 120.7 62.0 117.5 68.2 280 1281 C A T 4 S- 0 0 12 -32,-1.4 43,-0.1 1,-0.3 -1,-0.1 -0.778 93.1 -11.2 -88.4 129.5 63.9 120.4 69.9 281 1282 C P T 4 S+ 0 0 16 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 -0.914 131.3 45.1-115.3 22.0 62.6 121.7 72.2 282 1283 C D T >4 + 0 0 33 1,-0.2 3,-1.1 2,-0.1 -2,-0.2 -0.051 59.0 115.2-118.0 35.2 59.0 120.4 72.4 283 1284 C I G >< S+ 0 0 9 -4,-1.3 3,-2.1 1,-0.2 4,-0.2 0.805 71.2 74.6 -70.6 -21.6 58.8 116.7 71.9 284 1285 C I G > S+ 0 0 0 -11,-0.5 3,-1.5 1,-0.3 -1,-0.2 0.758 77.2 74.6 -61.5 -22.2 57.6 116.5 75.5 285 1286 C T G X S+ 0 0 22 -3,-1.1 3,-1.5 1,-0.3 -1,-0.3 0.619 74.0 85.5 -66.9 -11.2 54.2 117.9 74.4 286 1287 C A G X S+ 0 0 1 -3,-2.1 3,-1.9 1,-0.3 -1,-0.3 0.819 70.5 74.5 -60.9 -29.7 53.5 114.5 73.0 287 1288 C C G < S+ 0 0 0 -3,-1.5 -1,-0.3 1,-0.3 -2,-0.1 0.483 81.4 71.2 -65.8 -2.1 52.2 113.2 76.3 288 1289 C A G < S+ 0 0 27 -3,-1.5 -1,-0.3 230,-0.2 -2,-0.1 0.688 81.2 90.9 -86.2 -18.0 49.0 115.2 75.9 289 1290 C H S X S- 0 0 68 -3,-1.9 3,-1.0 -4,-0.2 220,-0.1 -0.545 71.9-139.4 -85.4 142.1 47.7 112.8 73.1 290 1291 C P T 3 S+ 0 0 56 0, 0.0 219,-2.9 0, 0.0 220,-0.3 0.758 101.3 54.3 -67.7 -28.2 45.5 109.7 73.8 291 1292 C N T 3 S+ 0 0 19 217,-0.2 -24,-1.8 218,-0.1 2,-0.5 0.424 90.9 95.7 -87.7 1.5 47.3 107.5 71.2 292 1293 C I E < -w 267 0G 1 -3,-1.0 -24,-0.2 -6,-0.2 -26,-0.1 -0.818 53.7-166.5 -99.9 124.9 50.7 108.2 72.8 293 1294 C L E -w 268 0G 0 -26,-2.2 -24,-1.2 -2,-0.5 2,-0.3 -0.919 25.3-159.4-106.7 99.7 52.3 105.8 75.3 294 1295 C P E +w 269 0G 0 0, 0.0 49,-1.5 0, 0.0 48,-1.5 -0.676 15.8 173.9 -89.4 137.5 55.2 108.0 76.7 295 1296 C S E -x 343 0H 0 -26,-1.8 -23,-2.5 -2,-0.3 2,-0.3 -0.876 19.9-135.6-134.2 164.8 58.3 106.7 78.5 296 1297 C S E -x 344 0H 0 47,-1.3 49,-1.9 -2,-0.3 2,-0.2 -0.874 13.2-132.4-120.8 151.4 61.5 108.2 79.8 297 1298 C T - 0 0 7 -2,-0.3 3,-0.4 47,-0.2 49,-0.2 -0.570 32.1-115.9 -91.2 166.5 65.0 106.9 79.6 298 1299 C N S > S+ 0 0 1 48,-1.1 3,-1.4 47,-0.2 54,-0.1 0.626 93.0 81.3 -90.5 -10.5 66.9 106.9 82.9 299 1300 C P T 3 S+ 0 0 2 0, 0.0 -1,-0.2 0, 0.0 53,-0.1 0.841 98.3 48.5 -62.7 -28.4 69.8 109.4 82.8 300 1301 C T T 3 S+ 0 0 2 -3,-0.4 -2,-0.1 3,-0.1 33,-0.1 0.494 85.6 126.8 -88.0 -0.9 67.5 112.3 83.5 301 1302 C L S < S+ 0 0 1 -3,-1.4 62,-0.1 1,-0.2 2,-0.1 -0.880 75.7 10.2-109.8 113.8 65.7 110.6 86.4 302 1303 C P S S- 0 0 1 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.678 88.9-116.7-100.5 177.2 65.8 112.3 88.8 303 1304 C Y + 0 0 8 26,-0.2 239,-2.2 27,-0.1 2,-0.2 -0.515 49.4 164.4 -67.6 121.3 66.9 115.9 88.2 304 1305 C T B -y 542 0I 30 -2,-0.3 4,-0.4 237,-0.3 3,-0.3 -0.776 50.8 -89.7-131.8-180.0 70.1 116.4 90.3 305 1306 C L S S+ 0 0 98 237,-2.1 4,-0.3 -2,-0.2 3,-0.2 0.832 122.4 38.3 -59.5 -41.6 73.1 118.7 90.6 306 1307 C N S > S+ 0 0 114 1,-0.1 4,-2.4 2,-0.1 5,-0.3 0.595 88.1 98.2 -89.6 -11.5 75.4 117.0 88.1 307 1308 C T H > S+ 0 0 4 -3,-0.3 4,-1.9 1,-0.2 -1,-0.1 0.858 86.2 41.2 -42.0 -59.6 72.7 116.1 85.5 308 1309 C I H > S+ 0 0 24 -4,-0.4 4,-1.2 1,-0.2 -1,-0.2 0.935 113.8 52.6 -59.8 -48.5 73.2 119.0 83.1 309 1310 C D H >> S+ 0 0 105 -4,-0.3 4,-0.6 1,-0.2 3,-0.5 0.918 112.0 44.3 -56.5 -48.4 77.0 118.9 83.2 310 1311 C E H >X S+ 0 0 63 -4,-2.4 4,-1.4 1,-0.2 3,-0.5 0.885 106.3 62.5 -66.8 -35.9 77.3 115.2 82.5 311 1312 C H H 3X S+ 0 0 1 -4,-1.9 4,-0.7 -5,-0.3 -1,-0.2 0.753 89.4 65.9 -63.1 -29.2 74.8 115.3 79.7 312 1313 C L H 0 0 133 0, 0.0 3,-0.5 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 -36.2 74.9 123.7 68.3 319 1332 C F T 3> + 0 0 95 1,-0.2 4,-1.2 2,-0.2 5,-0.1 0.364 360.0 84.1 -80.4 8.4 71.9 121.4 68.8 320 1333 C A H 3> S+ 0 0 11 1,-0.2 4,-3.1 2,-0.2 3,-0.4 0.963 93.7 41.7 -72.3 -52.0 73.5 120.2 72.1 321 1334 C E H <4 S+ 0 0 160 -3,-0.5 -1,-0.2 1,-0.2 -2,-0.2 0.397 114.0 54.4 -75.4 -0.0 72.1 123.2 74.1 322 1335 C S H 4 S+ 0 0 25 -4,-0.1 -1,-0.2 -3,-0.1 -2,-0.2 0.661 114.7 40.1-100.3 -26.8 68.8 122.8 72.2 323 1336 C R H < S+ 0 0 25 -4,-1.2 2,-0.9 -3,-0.4 -2,-0.2 0.863 108.7 60.9 -86.2 -44.0 68.6 119.2 73.2 324 1337 C I S < S+ 0 0 13 -4,-3.1 2,-0.4 -5,-0.1 -1,-0.2 -0.794 70.0 167.8 -91.0 107.9 69.8 119.4 76.8 325 1338 C R > - 0 0 3 -2,-0.9 4,-2.1 1,-0.1 5,-0.2 -0.975 35.8-155.9-130.5 124.5 67.4 121.7 78.7 326 1339 C R H > S+ 0 0 124 -2,-0.4 4,-2.7 1,-0.2 5,-0.2 0.880 96.2 59.5 -59.5 -37.5 67.2 122.2 82.4 327 1340 C E H > S+ 0 0 74 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.936 110.2 36.4 -58.9 -55.2 63.5 123.3 81.9 328 1341 C T H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.847 115.9 56.3 -70.5 -32.6 62.2 120.1 80.3 329 1342 C I H X S+ 0 0 0 -4,-2.1 4,-0.8 2,-0.2 -2,-0.2 0.936 109.0 45.4 -64.7 -45.3 64.4 117.9 82.5 330 1343 C A H X S+ 0 0 3 -4,-2.7 4,-0.8 1,-0.2 3,-0.5 0.889 112.8 51.4 -65.8 -38.5 63.0 119.4 85.7 331 1344 C A H X S+ 0 0 0 -4,-1.7 4,-2.5 -5,-0.2 3,-0.4 0.873 96.8 68.9 -66.1 -37.9 59.4 119.2 84.5 332 1345 C E H X S+ 0 0 0 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.828 95.2 54.4 -49.8 -42.1 59.8 115.5 83.5 333 1346 C D H X S+ 0 0 1 -4,-0.8 4,-1.8 -3,-0.5 -1,-0.2 0.933 110.9 45.0 -60.8 -45.5 60.0 114.4 87.2 334 1347 C V H X S+ 0 0 8 -4,-0.8 4,-1.8 -3,-0.4 -2,-0.2 0.909 108.3 56.5 -65.6 -43.7 56.7 116.1 88.0 335 1348 C L H X>S+ 0 0 0 -4,-2.5 5,-2.9 1,-0.2 6,-1.2 0.812 107.3 50.9 -59.5 -29.3 55.0 114.8 84.9 336 1349 C H H ><5S+ 0 0 2 -4,-1.4 3,-0.9 -5,-0.2 -1,-0.2 0.930 108.0 51.5 -72.0 -42.6 56.0 111.3 86.2 337 1350 C D H 3<5S+ 0 0 0 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.768 111.8 47.7 -64.7 -26.8 54.5 112.1 89.6 338 1351 C L H 3<5S- 0 0 46 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.584 115.8-111.9 -90.0 -13.7 51.2 113.2 88.0 339 1352 C G T <<5S+ 0 0 0 -3,-0.9 178,-1.8 -4,-0.7 -3,-0.2 0.735 83.9 120.3 88.8 21.5 50.9 110.2 85.7 340 1353 C A S - 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0 0 176 1,-0.2 2,-0.1 2,-0.0 0, 0.0 0.930 360.0-159.2 55.1 51.2 97.5 76.1 91.6 660 3003 A L - 0 0 62 4,-0.1 -1,-0.2 1,-0.1 3,-0.0 -0.410 2.6-144.5 -67.1 131.0 94.8 78.5 92.9 661 3004 A T > - 0 0 38 -2,-0.1 4,-2.1 -3,-0.1 3,-0.5 -0.430 31.8 -98.0 -85.8 167.2 91.4 76.8 93.4 662 3005 A P H > S+ 0 0 104 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.931 124.1 52.6 -53.9 -45.7 88.2 78.7 92.7 663 3006 A R H > S+ 0 0 116 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.814 107.3 50.8 -61.1 -33.7 87.7 79.5 96.4 664 3007 A E H > S+ 0 0 88 -3,-0.5 4,-1.4 2,-0.2 -1,-0.2 0.923 112.9 45.9 -70.0 -43.3 91.3 81.0 96.7 665 3008 A K H X S+ 0 0 124 -4,-2.1 4,-0.7 1,-0.2 -2,-0.2 0.855 109.8 56.2 -66.6 -33.5 90.6 83.2 93.7 666 3009 A D H >X S+ 0 0 18 -4,-2.4 4,-1.1 -5,-0.2 3,-0.9 0.899 104.9 50.7 -65.4 -41.8 87.2 84.1 95.2 667 3010 A K H 3X S+ 0 0 34 -4,-1.9 4,-2.8 1,-0.2 -1,-0.2 0.832 97.9 67.6 -66.6 -29.3 88.8 85.4 98.4 668 3011 A L H 3X S+ 0 0 93 -4,-1.4 4,-2.2 1,-0.2 -1,-0.2 0.829 97.8 54.8 -58.5 -29.6 91.2 87.5 96.3 669 3012 A L H S+ 0 0 46 -4,-1.7 5,-1.9 2,-0.2 4,-0.6 0.862 108.6 53.2 -72.3 -32.8 88.9 105.4 102.1 681 3024 A L H ><5S+ 0 0 49 -4,-2.7 3,-1.3 1,-0.2 -1,-0.2 0.918 106.5 54.4 -66.1 -39.9 88.9 104.9 105.9 682 3025 A A H 3<5S+ 0 0 89 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.832 101.5 58.3 -61.3 -34.3 92.4 106.4 105.9 683 3026 A R H 3<5S- 0 0 167 -4,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 0.642 121.5-108.3 -70.6 -15.9 91.0 109.5 104.0 684 3027 A G T <<5 + 0 0 66 -3,-1.3 2,-0.2 -4,-0.6 -3,-0.2 0.719 68.6 145.9 95.0 23.8 88.7 110.0 106.9 685 3028 A L < - 0 0 82 -5,-1.9 2,-0.6 1,-0.0 -1,-0.3 -0.571 55.2-114.3 -91.6 156.2 85.4 109.0 105.2 686 3029 A K - 0 0 120 -2,-0.2 40,-0.3 40,-0.1 39,-0.1 -0.825 42.4-123.7 -89.1 121.2 82.5 107.3 106.9 687 3030 A L B -g 726 0N 0 38,-2.5 40,-3.0 -2,-0.6 43,-0.1 -0.259 19.3-139.1 -67.6 153.4 82.3 103.9 105.3 688 3031 A N > - 0 0 8 38,-0.2 4,-2.1 -136,-0.1 5,-0.2 -0.289 37.8 -77.2 -98.5-169.4 79.2 102.5 103.5 689 3032 A Y H > S+ 0 0 57 -139,-2.1 4,-2.0 2,-0.2 5,-0.2 0.946 125.5 36.9 -59.8 -59.7 77.7 99.0 103.5 690 3033 A P H > S+ 0 0 21 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.908 115.6 55.9 -63.7 -36.6 79.9 97.0 101.2 691 3034 A E H > S+ 0 0 13 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.917 109.3 46.4 -58.9 -46.0 83.1 98.8 102.4 692 3035 A S H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 5,-0.3 0.956 112.1 48.8 -61.9 -51.7 82.4 97.9 106.0 693 3036 A V H X S+ 0 0 8 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.880 113.5 48.4 -57.0 -41.1 81.6 94.2 105.3 694 3037 A A H X S+ 0 0 5 -4,-2.4 4,-2.6 -5,-0.2 -20,-0.2 0.965 111.4 49.0 -64.9 -51.6 84.8 93.9 103.2 695 3038 A L H X S+ 0 0 19 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.918 113.7 43.6 -54.7 -54.3 87.1 95.6 105.8 696 3039 A I H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.898 113.6 52.8 -62.0 -40.3 86.0 93.5 108.8 697 3040 A S H X S+ 0 0 0 -4,-1.8 4,-2.0 -5,-0.3 -2,-0.2 0.928 108.2 49.0 -61.6 -46.6 86.1 90.3 106.7 698 3041 A A H X S+ 0 0 12 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.863 107.4 57.4 -61.5 -36.6 89.6 90.8 105.5 699 3042 A F H X S+ 0 0 75 -4,-1.8 4,-1.7 -5,-0.2 -1,-0.2 0.956 107.6 46.5 -58.2 -50.8 90.7 91.5 109.1 700 3043 A I H X S+ 0 0 1 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.875 108.8 55.2 -61.5 -39.7 89.4 88.1 110.2 701 3044 A M H X S+ 0 0 24 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.939 109.2 46.4 -60.5 -45.5 91.1 86.3 107.3 702 3045 A E H X S+ 0 0 94 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.822 108.1 59.6 -65.6 -28.9 94.4 87.8 108.3 703 3046 A G H X>S+ 0 0 4 -4,-1.7 5,-2.2 1,-0.2 4,-0.9 0.912 104.9 46.9 -64.2 -43.6 93.6 86.8 111.8 704 3047 A A H <5S+ 0 0 2 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.802 108.3 57.1 -68.4 -29.4 93.3 83.1 110.9 705 3048 A R H <5S+ 0 0 184 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.907 105.7 49.7 -66.9 -40.0 96.6 83.5 108.9 706 3049 A D H <5S- 0 0 118 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.701 121.3-112.4 -70.2 -21.0 98.3 84.6 112.1 707 3050 A G T <5 + 0 0 36 -4,-0.9 -3,-0.2 1,-0.2 -2,-0.1 0.683 58.7 157.6 98.0 19.4 96.8 81.6 113.9 708 3051 A K < - 0 0 71 -5,-2.2 -1,-0.2 1,-0.1 2,-0.1 -0.426 44.6-103.5 -72.9 155.7 94.4 83.3 116.3 709 3052 A S > - 0 0 57 1,-0.1 4,-2.2 -2,-0.1 5,-0.2 -0.329 20.0-115.6 -78.4 163.2 91.5 81.1 117.5 710 3053 A V H > S+ 0 0 43 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.950 117.4 54.4 -60.5 -46.9 87.9 81.3 116.3 711 3054 A A H > S+ 0 0 73 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.878 108.8 48.0 -54.2 -44.3 86.9 82.4 119.8 712 3055 A S H >> S+ 0 0 49 1,-0.2 4,-2.8 2,-0.2 3,-0.8 0.926 111.9 48.1 -65.0 -46.2 89.4 85.3 119.8 713 3056 A L H 3X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.849 101.1 64.1 -65.5 -34.9 88.4 86.6 116.3 714 3057 A M H 3< S+ 0 0 75 -4,-2.4 39,-0.3 1,-0.2 -1,-0.2 0.800 114.8 34.2 -58.8 -28.9 84.6 86.5 117.2 715 3058 A E H X< S+ 0 0 98 -3,-0.8 3,-1.7 -4,-0.7 -2,-0.2 0.885 115.6 53.1 -90.2 -50.3 85.4 89.2 119.8 716 3059 A E H >< S+ 0 0 68 -4,-2.8 3,-1.8 1,-0.3 -2,-0.2 0.834 100.1 64.3 -56.2 -34.3 88.2 91.1 118.0 717 3060 A G G >< S+ 0 0 0 -4,-2.7 3,-0.9 1,-0.3 4,-0.3 0.718 91.5 64.5 -64.5 -20.4 86.1 91.5 114.9 718 3061 A R G < S+ 0 0 67 -3,-1.7 39,-0.3 1,-0.2 -1,-0.3 0.378 99.5 54.0 -84.1 2.9 83.6 93.7 116.9 719 3062 A H G < S+ 0 0 115 -3,-1.8 -1,-0.2 -4,-0.1 -2,-0.2 0.151 81.0 89.0-122.2 19.5 86.3 96.3 117.5 720 3063 A V S < S+ 0 0 34 -3,-0.9 2,-0.4 1,-0.3 -2,-0.1 0.879 98.0 16.4 -82.9 -43.8 87.3 97.0 113.9 721 3064 A L - 0 0 1 34,-0.4 36,-0.5 -4,-0.3 -1,-0.3 -0.997 69.7-153.5-134.2 140.5 84.8 99.7 113.0 722 3065 A T > - 0 0 45 -2,-0.4 3,-2.1 34,-0.2 4,-0.3 -0.646 35.8-101.2-108.0 167.6 82.6 101.9 115.3 723 3066 A R G > S+ 0 0 114 1,-0.3 3,-0.8 -2,-0.2 7,-0.1 0.789 120.5 58.2 -56.9 -28.9 79.3 103.6 114.7 724 3067 A E G 3 S+ 0 0 138 1,-0.2 -1,-0.3 -38,-0.0 4,-0.1 0.527 101.0 56.2 -81.4 -5.5 81.1 106.9 114.2 725 3068 A Q G < S+ 0 0 72 -3,-2.1 -38,-2.5 -39,-0.1 2,-0.3 0.412 102.9 62.1-105.1 2.2 83.2 105.6 111.4 726 3069 A V B < S-g 687 0N 4 -3,-0.8 -38,-0.2 -4,-0.3 3,-0.1 -0.924 88.6 -93.7-130.8 154.6 80.3 104.4 109.2 727 3070 A M > - 0 0 46 -40,-3.0 3,-1.3 -2,-0.3 -2,-0.1 -0.130 58.5 -80.1 -58.6 156.6 77.3 106.0 107.4 728 3071 A E T 3 S+ 0 0 127 1,-0.2 -1,-0.1 2,-0.1 -171,-0.1 -0.231 116.1 17.6 -60.1 144.3 73.9 106.2 109.1 729 3072 A G T 3> S+ 0 0 2 -3,-0.1 4,-1.2 1,-0.1 3,-0.4 0.068 94.7 106.7 82.1 -25.7 71.9 103.0 109.0 730 3073 A V H X> S+ 0 0 0 -3,-1.3 3,-0.9 1,-0.2 4,-0.6 0.907 75.0 52.5 -54.0 -47.4 75.0 100.9 108.1 731 3074 A P H >4 S+ 0 0 9 0, 0.0 3,-1.0 0, 0.0 -1,-0.2 0.888 109.2 50.9 -57.1 -38.3 75.3 99.3 111.5 732 3075 A E H 34 S+ 0 0 72 -3,-0.4 -2,-0.2 1,-0.2 -175,-0.1 0.729 104.4 57.9 -69.6 -25.4 71.7 98.2 111.3 733 3076 A M H << S+ 0 0 17 -4,-1.2 -1,-0.2 -3,-0.9 3,-0.1 0.549 103.6 57.6 -80.0 -11.9 72.2 96.7 107.9 734 3077 A I << + 0 0 5 -3,-1.0 22,-0.4 -4,-0.6 -1,-0.2 -0.676 53.2 161.3-123.8 79.6 75.0 94.4 109.3 735 3078 A P S S- 0 0 71 0, 0.0 19,-3.2 0, 0.0 2,-0.3 0.719 76.9 -11.1 -67.9 -21.4 73.6 92.2 112.1 736 3079 A D E -H 753 0O 58 17,-0.3 2,-0.4 18,-0.1 17,-0.2 -0.973 59.6-137.9-169.9 162.6 76.6 89.9 111.7 737 3080 A I E -H 752 0O 4 15,-2.1 15,-2.8 -2,-0.3 2,-0.4 -0.995 17.7-169.6-132.8 136.8 79.5 89.1 109.5 738 3081 A Q E +H 751 0O 31 -2,-0.4 -282,-2.6 -284,-0.3 2,-0.3 -0.983 13.8 155.1-131.3 139.8 80.7 85.6 108.5 739 3082 A V E -H 750 0O 0 11,-1.5 11,-2.4 -2,-0.4 2,-0.3 -0.975 25.4-143.0-159.3 150.6 83.8 84.5 106.7 740 3083 A E E +H 749 0O 12 -284,-0.5 2,-0.3 -2,-0.3 9,-0.2 -0.912 23.3 164.9-119.3 148.6 85.9 81.3 106.5 741 3084 A A E -H 748 0O 16 7,-1.1 7,-1.6 -2,-0.3 2,-0.9 -0.928 45.5 -86.0-152.3 169.3 89.7 81.0 106.3 742 3085 A T E -H 747 0O 106 -2,-0.3 5,-0.3 5,-0.2 -35,-0.1 -0.758 44.3-172.9 -89.4 103.3 92.4 78.4 106.7 743 3086 A F E > -H 746 0O 5 3,-2.7 3,-2.0 -2,-0.9 -38,-0.1 -0.376 47.5 -93.4 -83.0 170.0 93.4 78.2 110.4 744 3087 A P T 3 S+ 0 0 110 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.831 132.4 47.9 -55.1 -27.0 96.4 76.1 111.4 745 3088 A D T 3 S- 0 0 107 1,-0.3 2,-0.1 -38,-0.0 -3,-0.0 -0.136 125.8 -90.6-104.1 34.4 93.7 73.4 112.0 746 3089 A G E < S-H 743 0O 31 -3,-2.0 -3,-2.7 2,-0.0 -1,-0.3 -0.290 72.0 -18.5 91.4-175.2 91.8 73.8 108.7 747 3090 A S E +H 742 0O 59 -5,-0.3 2,-0.3 -3,-0.1 -5,-0.2 -0.470 62.6 175.2 -71.8 136.0 88.9 75.9 107.5 748 3091 A K E -H 741 0O 81 -7,-1.6 -7,-1.1 -2,-0.2 2,-0.4 -0.975 29.0-120.3-141.1 153.2 86.6 77.4 110.2 749 3092 A L E -H 740 0O 47 -2,-0.3 2,-0.5 -9,-0.2 -9,-0.2 -0.792 21.7-163.6 -96.7 131.6 83.6 79.8 110.2 750 3093 A V E -H 739 0O 0 -11,-2.4 -11,-1.5 -2,-0.4 2,-0.5 -0.978 4.9-171.1-117.6 120.4 83.9 83.0 112.1 751 3094 A T E -H 738 0O 22 -2,-0.5 2,-0.6 -13,-0.2 -13,-0.2 -0.966 4.2-166.2-115.7 119.5 80.7 84.8 112.9 752 3095 A V E -H 737 0O 0 -15,-2.8 -15,-2.1 -2,-0.5 2,-0.4 -0.932 13.0-149.0-105.3 118.7 80.9 88.2 114.4 753 3096 A H E S-H 736 0O 106 -2,-0.6 -17,-0.3 -39,-0.3 -2,-0.0 -0.745 75.5 -8.4 -90.3 139.2 77.5 89.4 115.8 754 3097 A N S S- 0 0 95 -19,-3.2 -1,-0.3 -2,-0.4 -18,-0.1 0.899 76.3-179.1 39.0 61.7 76.7 93.1 115.7 755 3098 A P + 0 0 0 0, 0.0 2,-0.6 0, 0.0 -34,-0.4 0.764 63.3 59.6 -59.5 -29.6 80.3 93.9 114.6 756 3099 A I 0 0 6 -22,-0.4 -34,-0.2 -25,-0.2 -22,-0.1 -0.919 360.0 360.0-110.8 119.6 79.6 97.7 114.6 757 3100 A I 0 0 101 -2,-0.6 -35,-0.2 -36,-0.5 -1,-0.2 0.616 360.0 360.0-126.3 360.0 78.5 99.4 117.8