==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE, SIGNALING PROTEIN 04-MAY-12 4F0G . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE ROCO4; . SOURCE 2 ORGANISM_SCIENTIFIC: DICTYOSTELIUM DISCOIDEUM; . AUTHOR B.K.GILSBACH,I.R.VETTER,A.WITTINGHOFER,A.KORTHOLT . 263 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13477.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 172 65.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 34 12.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 1 0.4 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 . 14 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 78 29.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 0 0 1 0 0 1 2 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 0 1 1 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1016 A S 0 0 97 0, 0.0 2,-0.4 0, 0.0 68,-0.1 0.000 360.0 360.0 360.0-143.6 -11.3 -0.9 3.9 2 1017 A R + 0 0 95 67,-0.1 0, 0.0 1,-0.0 0, 0.0 -0.391 360.0 163.7 -64.6 114.2 -13.4 2.2 3.0 3 1018 A L - 0 0 35 -2,-0.4 77,-0.1 66,-0.0 78,-0.1 -0.878 27.3-142.5-133.9 100.5 -11.4 5.5 3.6 4 1019 A P - 0 0 80 0, 0.0 77,-1.6 0, 0.0 2,-0.4 -0.151 12.0-126.7 -61.9 154.7 -12.9 8.6 1.9 5 1020 A T B -a 81 0A 81 75,-0.2 2,-0.4 77,-0.0 77,-0.2 -0.858 20.4-161.3-106.1 138.5 -10.8 11.3 0.3 6 1021 A L - 0 0 17 75,-3.3 77,-0.3 -2,-0.4 2,-0.2 -0.969 3.0-151.6-124.6 136.6 -11.1 15.0 1.2 7 1022 A A >> - 0 0 39 -2,-0.4 3,-1.9 75,-0.1 4,-0.6 -0.499 37.3 -96.7 -97.5 170.2 -10.0 18.1 -0.7 8 1023 A D T 34 S+ 0 0 93 1,-0.3 3,-0.4 2,-0.2 -1,-0.0 0.747 122.2 60.2 -59.9 -28.0 -8.9 21.5 0.6 9 1024 A N T 34 S+ 0 0 133 1,-0.2 -1,-0.3 3,-0.1 22,-0.0 0.650 103.9 51.6 -72.5 -16.6 -12.4 22.9 -0.1 10 1025 A E T <4 S+ 0 0 63 -3,-1.9 21,-1.7 21,-0.1 22,-0.6 0.585 105.9 64.5 -93.0 -14.6 -13.9 20.3 2.3 11 1026 A I E < -B 30 0A 11 -4,-0.6 2,-0.5 -3,-0.4 19,-0.2 -0.921 64.2-155.7-117.8 134.6 -11.4 21.2 5.2 12 1027 A E E -B 29 0A 96 17,-2.9 17,-2.0 -2,-0.4 2,-0.2 -0.942 16.1-146.1-106.8 129.1 -11.1 24.4 7.2 13 1028 A Y E +B 28 0A 95 -2,-0.5 15,-0.2 15,-0.2 3,-0.1 -0.547 27.6 157.0 -90.7 157.3 -7.7 25.2 8.8 14 1029 A E E - 0 0 66 13,-1.5 2,-0.2 1,-0.4 14,-0.2 0.436 53.4 -9.6-139.0 -73.7 -7.2 27.0 12.1 15 1030 A K E -B 27 0A 123 12,-1.0 12,-1.6 0, 0.0 2,-0.6 -0.775 58.5-106.8-133.0 173.5 -3.9 26.5 14.2 16 1031 A Q E -B 26 0A 110 -2,-0.2 10,-0.3 10,-0.2 3,-0.1 -0.941 25.4-173.9-108.3 114.7 -0.8 24.4 14.4 17 1032 A I E - 0 0 86 8,-1.5 2,-0.3 -2,-0.6 9,-0.2 0.918 52.4 -72.1 -74.1 -47.0 -0.9 21.9 17.3 18 1033 A G E -B 25 0A 26 7,-1.2 7,-3.0 0, 0.0 2,-0.4 -0.982 51.5 -59.0 177.6-166.9 2.7 20.6 17.0 19 1034 A K E -B 24 0A 187 -2,-0.3 5,-0.2 5,-0.2 2,-0.1 -0.900 44.4-168.0-107.2 131.7 5.3 18.5 15.3 20 1035 A G - 0 0 39 3,-3.0 5,-0.1 -2,-0.4 -1,-0.0 -0.194 40.6 -85.7-101.2-164.8 4.9 14.7 14.7 21 1036 A G S S+ 0 0 61 1,-0.2 3,-0.1 -2,-0.1 39,-0.0 0.780 125.4 18.0 -75.5 -29.6 7.1 11.9 13.6 22 1037 A F S S- 0 0 14 19,-0.2 21,-3.4 37,-0.1 2,-0.3 0.342 131.7 -39.3-125.2 1.9 6.6 12.4 9.9 23 1038 A G S S- 0 0 14 19,-0.3 -3,-3.0 21,-0.0 2,-0.3 -0.872 81.1 -28.2 175.7-139.5 5.3 16.0 9.7 24 1039 A L E -B 19 0A 53 -2,-0.3 17,-2.8 -5,-0.2 2,-0.4 -0.780 37.4-138.9-115.6 153.5 3.0 18.6 11.3 25 1040 A V E -BC 18 40A 27 -7,-3.0 -8,-1.5 -2,-0.3 -7,-1.2 -0.939 23.0-172.3-113.7 133.3 -0.2 18.5 13.4 26 1041 A H E -BC 16 39A 38 13,-2.0 13,-3.0 -2,-0.4 2,-0.4 -0.975 22.1-134.3-131.9 139.1 -3.0 21.0 12.7 27 1042 A K E +BC 15 38A 45 -12,-1.6 -13,-1.5 -2,-0.4 -12,-1.0 -0.738 46.1 142.0 -85.1 135.4 -6.3 21.9 14.4 28 1043 A G E -BC 13 37A 0 9,-2.6 9,-1.6 -2,-0.4 2,-0.3 -0.751 38.1-122.4-152.3-162.8 -9.2 22.2 11.9 29 1044 A R E -BC 12 36A 92 -17,-2.0 -17,-2.9 7,-0.3 2,-0.4 -0.953 21.2-120.0-160.0 136.6 -12.9 21.7 11.0 30 1045 A L E > -B 11 0A 21 5,-2.4 4,-1.6 -2,-0.3 -19,-0.2 -0.657 15.0-156.4 -73.0 130.1 -15.0 19.9 8.4 31 1046 A V T 4 S+ 0 0 55 -21,-1.7 -1,-0.1 -2,-0.4 -20,-0.1 0.714 95.0 51.8 -78.8 -21.2 -17.2 22.5 6.5 32 1047 A K T 4 S+ 0 0 186 -22,-0.6 -1,-0.1 1,-0.1 -21,-0.1 0.912 127.2 19.4 -76.7 -47.4 -19.5 19.6 5.7 33 1048 A D T 4 S- 0 0 111 2,-0.2 -2,-0.2 0, 0.0 3,-0.1 0.623 90.1-138.2 -99.3 -18.5 -20.0 18.2 9.2 34 1049 A K < + 0 0 134 -4,-1.6 2,-0.3 1,-0.3 -3,-0.1 0.496 58.2 137.7 66.5 7.3 -18.9 21.4 11.2 35 1050 A S - 0 0 28 1,-0.1 -5,-2.4 -6,-0.0 -1,-0.3 -0.611 58.8-108.3 -87.7 143.3 -17.0 19.0 13.5 36 1051 A V E -C 29 0A 41 -2,-0.3 56,-1.6 -7,-0.2 2,-0.3 -0.429 39.4-169.8 -74.8 138.9 -13.5 19.7 14.8 37 1052 A V E -CD 28 91A 0 -9,-1.6 -9,-2.6 54,-0.2 2,-0.5 -0.911 23.8-137.5-131.1 154.5 -10.5 17.7 13.4 38 1053 A A E -CD 27 90A 16 52,-3.3 52,-2.8 -2,-0.3 2,-0.5 -0.961 24.1-155.7-108.2 129.3 -6.8 17.0 13.9 39 1054 A I E -CD 26 89A 1 -13,-3.0 -13,-2.0 -2,-0.5 2,-0.6 -0.922 5.7-163.7-115.0 117.5 -4.7 16.8 10.7 40 1055 A K E -CD 25 88A 28 48,-2.1 48,-2.6 -2,-0.5 -15,-0.2 -0.882 14.8-161.4-102.1 119.2 -1.4 14.9 10.6 41 1056 A S E - D 0 87A 15 -17,-2.8 2,-0.5 -2,-0.6 46,-0.2 -0.604 15.6-130.8-100.2 156.6 0.7 15.8 7.6 42 1057 A L + 0 0 9 44,-2.0 2,-0.4 -2,-0.2 -19,-0.3 -0.940 27.6 177.0-105.4 125.7 3.6 14.0 5.8 43 1058 A I - 0 0 80 -21,-3.4 2,-0.8 -2,-0.5 13,-0.0 -0.963 28.8-128.9-127.8 131.0 6.7 16.2 5.2 44 1059 A L - 0 0 91 -2,-0.4 2,-0.1 2,-0.1 9,-0.1 -0.808 32.3-114.6 -95.1 122.1 9.8 14.8 3.7 45 1060 A G - 0 0 10 -2,-0.8 8,-0.1 1,-0.1 4,-0.1 -0.296 29.6-110.5 -64.6 136.2 12.8 15.7 5.9 46 1061 A D S S- 0 0 158 1,-0.2 -1,-0.1 2,-0.1 -2,-0.1 0.515 86.9 -37.8 -56.7 -36.2 15.1 18.0 4.1 47 1062 A S S S+ 0 0 90 2,-0.0 6,-0.2 5,-0.0 5,-0.2 0.185 83.3 150.8-138.3 -65.3 18.0 15.5 3.7 48 1063 A E S S- 0 0 96 4,-0.1 -2,-0.1 3,-0.1 -3,-0.1 0.346 78.0 -53.9 70.2 5.7 17.9 13.7 6.9 49 1064 A G > - 0 0 30 3,-0.1 4,-1.1 2,-0.1 3,-0.2 0.264 51.3-107.4 75.6 146.4 19.3 10.6 5.3 50 1065 A E H > S+ 0 0 152 1,-0.2 4,-1.0 2,-0.2 3,-0.5 0.911 121.6 47.0 -56.3 -48.7 18.0 8.7 2.2 51 1066 A T H > S+ 0 0 93 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.701 103.5 63.7 -71.8 -21.4 16.6 5.9 4.4 52 1067 A E H > S+ 0 0 67 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.834 101.6 49.9 -70.3 -35.3 15.0 8.3 6.8 53 1068 A M H X S+ 0 0 55 -4,-1.1 4,-1.6 -3,-0.5 -2,-0.2 0.830 109.1 52.8 -71.1 -34.4 12.7 9.6 4.1 54 1069 A I H X S+ 0 0 87 -4,-1.0 4,-2.2 2,-0.2 -2,-0.2 0.928 110.6 45.3 -66.5 -47.6 11.6 6.1 3.1 55 1070 A E H X S+ 0 0 90 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.802 108.4 58.2 -69.2 -30.2 10.7 5.0 6.7 56 1071 A K H X S+ 0 0 34 -4,-1.4 4,-1.8 2,-0.2 -1,-0.2 0.913 110.0 43.9 -61.0 -45.2 8.8 8.3 7.2 57 1072 A F H X S+ 0 0 94 -4,-1.6 4,-2.2 1,-0.2 -2,-0.2 0.903 114.4 49.3 -65.7 -44.2 6.6 7.5 4.2 58 1073 A Q H X S+ 0 0 114 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.784 109.8 50.9 -70.5 -29.4 6.2 3.9 5.3 59 1074 A E H X S+ 0 0 71 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.892 109.4 51.1 -71.5 -42.3 5.2 4.9 8.8 60 1075 A F H X S+ 0 0 16 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.926 113.0 45.8 -56.2 -48.4 2.6 7.3 7.5 61 1076 A Q H X S+ 0 0 108 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.865 109.6 54.2 -64.2 -40.2 1.2 4.5 5.3 62 1077 A R H X S+ 0 0 101 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.910 108.9 48.7 -60.8 -43.6 1.2 2.0 8.2 63 1078 A E H X S+ 0 0 15 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.887 111.3 50.0 -64.4 -40.6 -0.8 4.4 10.3 64 1079 A V H X S+ 0 0 25 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.952 111.5 49.0 -58.8 -50.7 -3.3 4.9 7.4 65 1080 A F H < S+ 0 0 136 -4,-2.7 4,-0.4 1,-0.2 -2,-0.2 0.877 114.9 43.6 -58.2 -43.5 -3.7 1.1 7.0 66 1081 A I H >< S+ 0 0 23 -4,-2.3 3,-0.9 1,-0.2 4,-0.5 0.934 116.3 45.0 -70.1 -47.4 -4.2 0.5 10.7 67 1082 A M H >< S+ 0 0 5 -4,-2.4 3,-0.5 1,-0.2 11,-0.5 0.757 101.3 67.4 -70.3 -27.4 -6.7 3.4 11.4 68 1083 A S T 3< S+ 0 0 28 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.1 0.652 104.9 42.6 -71.4 -16.3 -8.8 2.8 8.3 69 1084 A N T < S+ 0 0 68 -3,-0.9 2,-0.5 -4,-0.4 -1,-0.2 0.524 93.4 93.3-106.8 -9.7 -10.1 -0.5 9.6 70 1085 A L < + 0 0 14 -3,-0.5 8,-0.3 -4,-0.5 2,-0.3 -0.753 42.1 169.8 -91.3 128.2 -10.8 0.4 13.2 71 1086 A N + 0 0 112 -2,-0.5 5,-0.1 6,-0.1 6,-0.1 -0.752 27.1 120.2-140.4 88.6 -14.3 1.6 14.1 72 1087 A H > - 0 0 34 3,-0.4 3,-1.7 -2,-0.3 52,-0.0 -0.989 62.9-124.7-152.6 141.2 -14.9 1.9 17.9 73 1088 A P T 3 S+ 0 0 63 0, 0.0 4,-0.1 0, 0.0 51,-0.1 0.709 110.9 54.4 -62.6 -23.0 -15.8 4.9 20.2 74 1089 A N T 3 S+ 0 0 7 85,-0.1 86,-2.9 2,-0.1 2,-0.4 0.138 100.7 71.2 -98.3 17.7 -12.8 4.3 22.4 75 1090 A I B < S-f 160 0B 1 -3,-1.7 -3,-0.4 84,-0.3 86,-0.2 -0.999 94.3-106.7-132.3 130.7 -10.4 4.5 19.5 76 1091 A V - 0 0 7 84,-2.2 2,-0.3 -2,-0.4 -6,-0.1 -0.331 41.1-128.5 -57.3 131.8 -9.6 7.8 17.7 77 1092 A K - 0 0 59 -4,-0.1 14,-2.2 -6,-0.1 2,-0.7 -0.668 4.6-140.6 -91.6 138.0 -11.3 7.8 14.2 78 1093 A L E - E 0 90A 27 -11,-0.5 12,-0.3 -8,-0.3 3,-0.1 -0.877 17.4-176.2 -91.3 115.4 -9.8 8.5 10.9 79 1094 A Y E - 0 0 74 10,-2.8 2,-0.3 -2,-0.7 11,-0.2 0.896 54.8 -49.5 -78.1 -44.4 -12.3 10.6 8.9 80 1095 A G E - E 0 89A 0 9,-1.5 9,-3.0 -77,-0.1 2,-0.3 -0.966 49.2 -92.2-172.3-171.7 -10.3 10.7 5.6 81 1096 A L E -aE 5 88A 36 -77,-1.6 -75,-3.3 -2,-0.3 2,-0.3 -0.869 21.7-160.1-124.3 153.4 -7.2 11.4 3.5 82 1097 A M E > - E 0 87A 4 5,-1.7 5,-2.0 -2,-0.3 -75,-0.1 -0.953 1.9-165.4-131.0 158.0 -5.8 14.4 1.7 83 1098 A H T 5 + 0 0 127 -77,-0.3 -1,-0.1 -2,-0.3 -76,-0.1 0.804 65.1 84.3-112.8 -39.6 -3.3 14.6 -1.0 84 1099 A N T 5S+ 0 0 146 1,-0.2 -77,-0.0 2,-0.0 -2,-0.0 0.868 128.5 0.9 -41.6 -67.1 -1.7 17.9 -1.9 85 1100 A P T 5S- 0 0 53 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 -0.927 112.1 -98.9-100.1 139.2 0.6 17.1 0.9 86 1101 A P T 5 + 0 0 41 0, 0.0 -44,-2.0 0, 0.0 2,-0.3 -0.390 56.2 175.0 -66.7 134.6 -0.4 13.7 2.2 87 1102 A R E < -DE 41 82A 4 -5,-2.0 -5,-1.7 -46,-0.2 2,-0.5 -0.967 32.3-140.2-142.8 149.3 -2.6 14.1 5.2 88 1103 A M E -DE 40 81A 0 -48,-2.6 -48,-2.1 -2,-0.3 2,-0.7 -0.956 16.1-152.7-107.5 130.2 -4.6 12.1 7.7 89 1104 A V E +DE 39 80A 0 -9,-3.0 -10,-2.8 -2,-0.5 -9,-1.5 -0.891 27.0 169.1-104.3 105.7 -7.9 13.7 8.9 90 1105 A M E -DE 38 78A 12 -52,-2.8 -52,-3.3 -2,-0.7 -12,-0.2 -0.811 40.0 -90.8-116.2 155.9 -8.7 12.4 12.4 91 1106 A E E -D 37 0A 23 -14,-2.2 2,-0.5 -2,-0.3 -54,-0.2 -0.345 41.7-122.1 -61.7 140.8 -11.2 13.4 15.0 92 1107 A F - 0 0 50 -56,-1.6 -56,-0.1 -64,-0.1 -1,-0.1 -0.770 15.6-150.2 -89.8 130.4 -10.0 16.0 17.5 93 1108 A V > - 0 0 12 -2,-0.5 3,-0.7 1,-0.1 54,-0.2 -0.905 9.4-156.8-105.0 116.4 -10.1 15.0 21.2 94 1109 A P T 3 S+ 0 0 74 0, 0.0 54,-0.2 0, 0.0 -1,-0.1 0.549 74.2 60.0 -81.6 -13.0 -10.7 18.1 23.3 95 1110 A C T 3 S- 0 0 62 52,-2.0 53,-0.1 1,-0.3 6,-0.1 0.017 95.4-121.8-110.0 29.7 -9.4 17.4 26.8 96 1111 A G < - 0 0 44 -3,-0.7 51,-3.1 50,-0.1 -1,-0.3 -0.298 46.2 -47.1 73.5-153.0 -5.7 16.6 26.2 97 1112 A D B > -G 146 0B 30 49,-0.3 4,-1.9 1,-0.1 49,-0.2 -0.812 41.6-113.7-121.7 162.5 -4.0 13.3 27.1 98 1113 A L H > S+ 0 0 0 47,-2.9 4,-2.1 44,-0.6 5,-0.2 0.840 110.3 58.8 -61.3 -39.9 -3.9 11.0 30.2 99 1114 A Y H > S+ 0 0 101 43,-1.5 4,-1.0 46,-0.3 -1,-0.2 0.957 110.1 41.2 -56.1 -54.0 -0.2 11.7 30.9 100 1115 A H H > S+ 0 0 114 1,-0.2 4,-0.5 2,-0.2 3,-0.4 0.874 112.5 55.0 -66.7 -37.6 -0.5 15.4 31.3 101 1116 A R H >< S+ 0 0 59 -4,-1.9 3,-1.2 1,-0.2 -1,-0.2 0.897 105.2 52.9 -60.6 -41.3 -3.8 15.2 33.3 102 1117 A L H 3< S+ 0 0 16 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.740 95.6 68.9 -70.8 -22.5 -2.2 12.9 35.9 103 1118 A L H 3< S+ 0 0 92 -4,-1.0 2,-1.8 -3,-0.4 -1,-0.3 0.740 76.8 90.6 -65.1 -24.5 0.6 15.4 36.4 104 1119 A D X< + 0 0 67 -3,-1.2 3,-0.7 -4,-0.5 -1,-0.1 -0.579 52.2 169.2 -76.6 84.6 -1.9 17.7 38.0 105 1120 A K T 3 + 0 0 115 -2,-1.8 -1,-0.2 1,-0.2 -2,-0.1 0.659 67.8 65.6 -71.8 -21.3 -1.5 16.4 41.5 106 1121 A A T 3 S+ 0 0 77 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.1 0.728 106.7 43.8 -75.3 -19.8 -3.5 19.3 43.1 107 1122 A H S < S- 0 0 117 -3,-0.7 -1,-0.3 -6,-0.2 -3,-0.1 -0.670 81.3-164.2-126.1 76.1 -6.6 18.0 41.3 108 1123 A P - 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0 0 60 -2,-1.2 3,-1.1 1,-0.0 4,-0.5 -0.390 52.8 -94.5 -92.3-179.4 2.2 -10.2 20.1 184 1212 A E H >> S+ 0 0 59 1,-0.2 4,-1.3 2,-0.2 3,-0.8 0.783 123.4 69.6 -67.0 -25.1 -1.1 -8.8 21.3 185 1213 A K H 3> S+ 0 0 36 1,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.730 88.4 64.1 -64.6 -23.2 -0.1 -10.0 24.8 186 1214 A A H <> S+ 0 0 3 -3,-1.1 4,-1.8 2,-0.2 -15,-0.3 0.840 101.3 49.5 -66.8 -36.5 2.6 -7.2 24.7 187 1215 A D H - 0 0 19 -2,-0.3 3,-1.7 -3,-0.1 4,-0.3 -0.560 47.3-103.5 -72.0 135.6 4.8 6.8 36.4 204 1232 A P T 3 S+ 0 0 3 0, 0.0 -1,-0.1 0, 0.0 -36,-0.1 -0.426 104.6 9.0 -63.6 133.2 5.3 3.1 36.3 205 1233 A F T > S+ 0 0 4 -2,-0.1 3,-1.9 1,-0.1 -2,-0.0 0.394 88.5 124.4 76.0 1.9 8.8 2.1 37.8 206 1234 A D T < + 0 0 115 -3,-1.7 -1,-0.1 1,-0.3 -3,-0.0 0.682 63.9 67.6 -64.9 -16.8 9.4 5.7 39.0 207 1235 A E T 3 S+ 0 0 92 -4,-0.3 2,-0.3 -5,-0.0 -1,-0.3 0.636 99.2 62.9 -75.5 -13.2 9.9 4.2 42.5 208 1236 A Y < - 0 0 57 -3,-1.9 2,-0.4 2,-0.0 7,-0.0 -0.807 60.1-164.6-113.7 154.4 13.2 2.6 41.2 209 1237 A S + 0 0 113 -2,-0.3 2,-0.3 2,-0.0 -3,-0.0 -0.936 26.4 142.7-138.2 116.7 16.5 3.8 39.9 210 1238 A Y - 0 0 88 -2,-0.4 -2,-0.0 2,-0.0 2,-0.0 -0.965 54.3 -92.1-140.7 156.4 18.9 1.5 38.0 211 1239 A G > - 0 0 53 -2,-0.3 4,-3.1 1,-0.1 5,-0.2 -0.344 51.2-103.5 -58.9 154.4 21.2 1.7 35.1 212 1240 A K H > S+ 0 0 144 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.866 118.9 47.6 -56.2 -45.8 19.5 0.7 31.8 213 1241 A I H > S+ 0 0 132 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.945 116.9 43.3 -62.3 -48.6 21.1 -2.8 31.5 214 1242 A K H > S+ 0 0 108 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.899 111.8 55.2 -60.4 -43.2 20.3 -3.6 35.2 215 1243 A F H X S+ 0 0 19 -4,-3.1 4,-2.1 1,-0.2 -2,-0.2 0.948 110.5 44.4 -57.8 -52.0 16.8 -2.1 34.9 216 1244 A I H X S+ 0 0 20 -4,-2.4 4,-3.0 1,-0.2 5,-0.3 0.885 112.6 52.0 -59.7 -44.6 15.9 -4.4 31.9 217 1245 A N H X>S+ 0 0 75 -4,-2.2 4,-2.9 -5,-0.2 5,-0.9 0.882 108.9 51.2 -59.4 -39.9 17.5 -7.5 33.6 218 1246 A M H X5S+ 0 0 30 -4,-2.6 6,-2.5 3,-0.2 4,-0.8 0.914 114.2 43.4 -63.0 -44.1 15.4 -6.8 36.8 219 1247 A I H <5S+ 0 0 0 -4,-2.1 4,-0.4 4,-0.2 -2,-0.2 0.935 124.6 34.6 -66.2 -47.6 12.2 -6.5 34.7 220 1248 A R H <5S+ 0 0 97 -4,-3.0 -2,-0.2 -5,-0.2 -3,-0.2 0.927 132.7 21.5 -73.8 -50.9 13.0 -9.6 32.5 221 1249 A E H <5S+ 0 0 129 -4,-2.9 -3,-0.2 -5,-0.3 -2,-0.1 0.717 129.2 38.3 -99.1 -25.0 14.8 -11.9 34.8 222 1250 A E S < - 0 0 41 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 -0.149 18.9-121.3 -55.9 150.9 -0.7 0.2 46.9 230 1258 A E T 3 S+ 0 0 176 1,-0.3 -2,-0.0 -3,-0.0 0, 0.0 0.817 110.4 57.1 -62.9 -32.9 -2.1 -1.7 49.9 231 1259 A D T 3 S+ 0 0 145 2,-0.1 -1,-0.3 3,-0.0 -3,-0.0 0.401 77.5 120.9 -83.3 2.7 -5.5 0.0 49.6 232 1260 A C S < S- 0 0 4 -3,-1.4 5,-0.0 1,-0.1 -4,-0.0 -0.465 77.4-100.9 -64.3 133.8 -6.1 -1.1 46.0 233 1261 A P >> - 0 0 42 0, 0.0 4,-2.4 0, 0.0 3,-0.9 -0.377 29.3-123.0 -59.6 132.3 -9.3 -3.2 45.6 234 1262 A P H 3> S+ 0 0 96 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.780 110.1 52.4 -48.2 -38.0 -8.4 -6.9 45.4 235 1263 A R H 3> S+ 0 0 105 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.859 111.3 46.5 -71.2 -34.8 -10.1 -7.4 42.1 236 1264 A L H <> S+ 0 0 0 -3,-0.9 4,-2.7 2,-0.2 5,-0.2 0.912 110.3 53.4 -68.5 -43.9 -8.1 -4.5 40.5 237 1265 A R H X S+ 0 0 69 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.916 109.3 49.2 -56.7 -45.4 -4.9 -5.8 42.0 238 1266 A N H X S+ 0 0 53 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.897 110.3 50.0 -61.7 -44.2 -5.5 -9.3 40.5 239 1267 A V H X S+ 0 0 0 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.951 114.1 45.0 -59.7 -50.9 -6.2 -7.8 37.0 240 1268 A I H X S+ 0 0 0 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.951 114.5 48.4 -57.6 -51.1 -3.0 -5.6 37.1 241 1269 A E H < S+ 0 0 96 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.896 114.8 44.2 -58.4 -45.7 -0.9 -8.5 38.4 242 1270 A L H >< S+ 0 0 55 -4,-2.7 3,-1.4 1,-0.2 -1,-0.2 0.889 110.1 56.3 -66.7 -40.0 -2.2 -11.0 35.8 243 1271 A C H 3< S+ 0 0 0 -4,-2.6 -51,-0.2 1,-0.3 -1,-0.2 0.806 109.6 45.6 -65.0 -30.8 -1.9 -8.4 33.0 244 1272 A W T 3< S+ 0 0 18 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.116 81.6 146.9-101.0 25.5 1.9 -7.8 33.7 245 1273 A S < - 0 0 23 -3,-1.4 6,-0.1 2,-0.1 -3,-0.1 -0.246 55.1-131.0 -54.9 141.2 2.8 -11.5 34.0 246 1274 A G S S+ 0 0 48 1,-0.1 -73,-0.2 -75,-0.1 -1,-0.1 0.899 99.3 68.8 -58.6 -41.9 6.3 -12.4 32.8 247 1275 A D S > S- 0 0 69 1,-0.1 3,-2.1 2,-0.0 4,-0.4 -0.732 78.5-151.7 -82.3 112.1 4.7 -15.2 30.8 248 1276 A P G > S+ 0 0 35 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.792 93.8 61.0 -54.4 -32.7 2.6 -13.6 28.0 249 1277 A K G 3 S+ 0 0 160 1,-0.3 -3,-0.0 -3,-0.0 -2,-0.0 0.614 97.2 60.0 -74.5 -11.8 0.2 -16.6 27.9 250 1278 A K G < S+ 0 0 126 -3,-2.1 -1,-0.3 2,-0.1 -6,-0.1 0.548 80.5 101.0 -87.7 -10.8 -0.8 -15.8 31.6 251 1279 A R S < S- 0 0 2 -3,-1.2 -8,-0.2 -4,-0.4 -62,-0.1 -0.675 81.7-114.6 -78.5 122.9 -2.0 -12.4 30.6 252 1280 A P - 0 0 16 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.062 19.2-103.9 -67.2 155.8 -5.8 -12.6 30.4 253 1281 A H >> - 0 0 91 1,-0.1 4,-1.5 4,-0.0 3,-0.7 -0.437 37.4-115.5 -64.4 148.9 -8.1 -12.2 27.4 254 1282 A F H 3> S+ 0 0 1 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.659 111.4 68.2 -73.0 -15.0 -9.9 -8.8 27.4 255 1283 A S H 3> S+ 0 0 63 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.923 106.3 43.5 -62.2 -42.9 -13.4 -10.3 27.9 256 1284 A Y H <> S+ 0 0 88 -3,-0.7 4,-2.5 2,-0.2 -2,-0.2 0.913 113.5 50.7 -64.8 -46.8 -12.1 -11.3 31.4 257 1285 A I H X S+ 0 0 0 -4,-1.5 4,-2.4 2,-0.2 5,-0.2 0.939 112.0 46.7 -57.7 -49.3 -10.4 -7.9 32.0 258 1286 A V H X S+ 0 0 23 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.916 112.3 50.2 -61.7 -45.6 -13.6 -5.9 31.0 259 1287 A K H X S+ 0 0 115 -4,-2.0 4,-0.9 -5,-0.2 -1,-0.2 0.938 112.6 46.7 -57.1 -50.7 -15.8 -8.1 33.2 260 1288 A E H >< S+ 0 0 25 -4,-2.5 3,-0.7 1,-0.2 4,-0.3 0.902 112.4 48.9 -59.6 -45.0 -13.5 -7.7 36.3 261 1289 A L H >< S+ 0 0 3 -4,-2.4 3,-1.4 1,-0.2 -1,-0.2 0.870 106.0 57.7 -65.7 -35.5 -13.2 -4.0 35.9 262 1290 A S H 3< S+ 0 0 62 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.739 100.8 58.3 -65.8 -23.7 -17.0 -3.6 35.5 263 1291 A E T << 0 0 95 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.481 360.0 360.0 -87.1 -2.6 -17.4 -5.2 38.9 264 1292 A L < 0 0 69 -3,-1.4 -3,-0.0 -4,-0.3 -149,-0.0 -0.519 360.0 360.0 -77.0 360.0 -15.3 -2.6 40.7