==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 30-JAN-13 3W5H . COMPND 2 MOLECULE: NADH-CYTOCHROME B5 REDUCTASE 3; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR K.TAKEDA,H.OHNO,M.KOSUGI,K.TAKABA,K.MIKI . 272 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14107.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 181 66.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 11.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 48 17.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.1 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 . 24 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 40 14.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.5 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 2 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 0 0 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 4 0 0 3 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 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1001 A S 0 0 176 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 176.4 -13.0 12.5 6.7 2 1002 A T - 0 0 117 3,-0.0 3,-0.1 0, 0.0 0, 0.0 -0.964 360.0 -98.7-124.6 152.0 -10.3 14.9 7.5 3 1003 A P - 0 0 56 0, 0.0 37,-0.1 0, 0.0 38,-0.1 -0.249 45.2 -94.6 -61.5 150.4 -6.7 14.2 8.5 4 1004 A A - 0 0 51 35,-0.2 37,-2.5 1,-0.1 2,-0.3 -0.390 42.6-133.0 -55.9 136.1 -5.7 14.3 12.1 5 1005 A I B -a 41 0A 67 35,-0.2 37,-0.2 1,-0.1 3,-0.2 -0.644 9.9-154.5 -97.8 150.1 -4.2 17.8 13.0 6 1006 A T S S+ 0 0 3 35,-1.5 2,-2.0 36,-0.6 3,-0.3 0.912 86.7 61.7 -83.2 -50.4 -1.0 18.2 15.0 7 1007 A L + 0 0 6 35,-2.6 -1,-0.2 1,-0.2 107,-0.0 -0.506 61.0 152.0 -82.3 73.4 -1.7 21.7 16.4 8 1008 A E + 0 0 147 -2,-2.0 -1,-0.2 1,-0.2 -2,-0.1 0.839 68.7 22.0 -76.4 -33.2 -4.7 20.8 18.5 9 1009 A N > - 0 0 69 -3,-0.3 3,-1.5 106,-0.1 106,-0.3 -0.995 68.0-143.8-136.7 128.9 -4.3 23.4 21.2 10 1010 A P T 3 S+ 0 0 68 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.628 100.8 56.6 -71.7 -10.5 -2.3 26.7 20.8 11 1011 A D T 3 S+ 0 0 140 103,-0.1 2,-0.3 2,-0.1 103,-0.0 0.397 91.7 88.8 -98.6 0.3 -1.1 26.6 24.4 12 1012 A I < - 0 0 72 -3,-1.5 2,-0.5 103,-0.2 103,-0.4 -0.775 69.9-140.4 -94.5 142.1 0.5 23.1 24.0 13 1013 A K - 0 0 98 -2,-0.3 101,-0.2 101,-0.1 99,-0.1 -0.887 12.5-158.3 -99.5 136.2 4.0 22.6 22.8 14 1014 A Y E -B 113 0B 33 99,-3.1 99,-2.4 -2,-0.5 2,-0.5 -0.919 9.4-144.6-115.5 106.4 4.5 19.7 20.4 15 1015 A P E -B 112 0B 78 0, 0.0 2,-0.4 0, 0.0 97,-0.3 -0.638 22.0-164.4 -72.5 118.9 8.1 18.4 20.2 16 1016 A L E -B 111 0B 7 95,-2.7 95,-1.6 -2,-0.5 2,-0.4 -0.898 16.3-121.2-111.0 141.2 8.7 17.4 16.6 17 1017 A R E -BC 110 34B 134 17,-0.5 17,-2.6 -2,-0.4 2,-0.4 -0.615 19.8-125.7 -84.6 130.0 11.5 15.1 15.5 18 1018 A L E + C 0 33B 0 91,-3.0 90,-2.6 -2,-0.4 15,-0.3 -0.597 35.6 166.6 -72.1 121.9 14.0 16.4 12.9 19 1019 A I E + 0 0 60 13,-3.0 2,-0.3 -2,-0.4 14,-0.2 0.619 59.4 16.4-113.4 -21.3 14.1 13.9 10.0 20 1020 A D E - C 0 32B 73 12,-1.6 12,-2.8 2,-0.0 2,-0.4 -0.987 51.3-166.8-155.2 144.6 16.0 15.7 7.1 21 1021 A K E - C 0 31B 62 -2,-0.3 2,-0.5 10,-0.2 10,-0.2 -0.973 11.2-162.1-133.5 117.8 18.2 18.7 6.7 22 1022 A E E - C 0 30B 90 8,-2.9 8,-2.0 -2,-0.4 2,-1.0 -0.886 15.4-141.9 -98.5 131.6 18.9 20.1 3.2 23 1023 A V E + C 0 29B 93 -2,-0.5 6,-0.2 6,-0.2 3,-0.1 -0.807 24.6 176.1 -88.0 98.9 21.8 22.4 2.6 24 1024 A V E - 0 0 68 4,-1.8 2,-0.2 -2,-1.0 -1,-0.2 0.915 67.0 -31.5 -72.6 -44.2 20.2 24.7 0.1 25 1025 A N E > S- C 0 28B 58 3,-1.4 3,-1.2 -3,-0.2 -1,-0.3 -0.873 89.8 -61.8-159.8-174.3 23.2 27.0 -0.0 26 1026 A H T 3 S+ 0 0 130 1,-0.3 -2,-0.0 -2,-0.2 3,-0.0 0.843 133.5 15.8 -50.4 -40.7 25.9 28.1 2.4 27 1027 A D T 3 S+ 0 0 24 -4,-0.0 56,-3.3 58,-0.0 2,-0.4 0.193 110.1 87.6-121.8 19.7 23.6 29.8 4.9 28 1028 A T E < +CD 25 82B 5 -3,-1.2 -4,-1.8 54,-0.2 -3,-1.4 -0.962 49.5 178.7-123.6 134.9 20.2 28.4 3.9 29 1029 A R E -CD 23 81B 15 52,-2.5 52,-2.6 -2,-0.4 2,-0.5 -0.947 23.6-148.8-128.4 153.9 18.6 25.2 5.1 30 1030 A R E -CD 22 80B 35 -8,-2.0 -8,-2.9 -2,-0.3 2,-0.5 -0.994 21.0-164.6-116.4 121.6 15.4 23.3 4.7 31 1031 A F E -CD 21 79B 0 48,-3.0 48,-2.6 -2,-0.5 2,-0.5 -0.929 2.1-161.3-105.3 128.3 14.5 21.4 7.9 32 1032 A R E -CD 20 78B 76 -12,-2.8 -13,-3.0 -2,-0.5 -12,-1.6 -0.941 7.8-171.0-110.5 128.0 11.9 18.6 7.7 33 1033 A F E -CD 18 77B 0 44,-2.7 44,-2.1 -2,-0.5 2,-0.3 -0.909 23.1-118.4-116.5 141.4 10.2 17.5 10.9 34 1034 A A E -CD 17 76B 14 -17,-2.6 -17,-0.5 -2,-0.4 42,-0.3 -0.576 21.4-138.1 -74.6 139.0 7.9 14.5 11.3 35 1035 A L - 0 0 9 40,-2.3 -18,-0.1 -2,-0.3 7,-0.1 -0.293 44.5 -83.7 -78.8 175.9 4.4 15.0 12.4 36 1036 A P S S+ 0 0 83 0, 0.0 -2,-0.1 0, 0.0 -1,-0.0 0.788 112.2 3.4 -62.2 -25.1 2.9 12.6 15.0 37 1037 A S S > S- 0 0 30 -33,-0.1 3,-1.3 4,-0.0 38,-0.2 -0.959 79.3-106.6-146.6 163.3 2.1 10.1 12.3 38 1038 A P T 3 S+ 0 0 91 0, 0.0 38,-0.1 0, 0.0 -3,-0.0 0.651 119.1 53.4 -61.6 -18.6 2.6 9.9 8.5 39 1039 A E T 3 S+ 0 0 127 35,-0.1 -35,-0.2 36,-0.1 2,-0.1 0.485 88.3 101.2 -96.9 -8.4 -1.2 10.7 8.1 40 1040 A H < - 0 0 38 -3,-1.3 35,-3.2 -37,-0.1 2,-0.3 -0.370 56.8-150.3 -70.7 160.6 -1.3 13.8 10.2 41 1041 A I B -a 5 0A 12 -37,-2.5 -35,-1.5 33,-0.2 -34,-0.2 -0.811 24.6-117.1-117.7 166.2 -1.4 17.4 8.9 42 1042 A L - 0 0 8 31,-0.4 -35,-2.6 -2,-0.3 -36,-0.6 0.964 34.0-135.9 -67.9 -51.0 0.1 20.4 10.7 43 1043 A G + 0 0 9 1,-0.2 -38,-0.1 -37,-0.2 -1,-0.0 0.886 46.7 150.6 90.2 53.0 -3.2 22.3 11.1 44 1044 A L - 0 0 12 4,-0.1 27,-0.3 72,-0.1 -1,-0.2 -0.925 39.2-138.4-120.7 103.4 -2.0 25.8 10.2 45 1045 A P > - 0 0 49 0, 0.0 3,-2.3 0, 0.0 2,-0.1 -0.307 36.0 -93.8 -58.0 146.6 -4.6 28.1 8.6 46 1046 A V T 3 S+ 0 0 41 76,-0.3 76,-2.7 1,-0.3 3,-0.1 -0.403 116.0 34.2 -63.1 130.9 -3.3 30.2 5.7 47 1047 A G T 3 S+ 0 0 2 1,-0.4 73,-0.4 74,-0.3 -1,-0.3 0.054 103.2 94.6 107.3 -20.5 -2.2 33.5 7.2 48 1048 A Q < - 0 0 24 -3,-2.3 -1,-0.4 71,-0.1 2,-0.2 -0.518 54.1-158.1-104.5 167.9 -0.9 32.1 10.4 49 1049 A H E -E 117 0B 16 68,-2.7 68,-2.2 -2,-0.2 2,-0.3 -0.783 12.5-121.9-132.9 173.0 2.5 30.9 11.7 50 1050 A I E - F 0 65B 0 15,-2.7 15,-2.5 -2,-0.2 2,-0.4 -0.736 18.8-130.0-108.9 167.6 4.0 28.6 14.3 51 1051 A Y E -EF 114 64B 76 63,-2.4 63,-1.7 -2,-0.3 2,-0.4 -0.980 9.7-154.0-113.1 137.8 6.5 29.3 17.1 52 1052 A L E -EF 113 63B 0 11,-2.7 11,-2.2 -2,-0.4 2,-0.3 -0.861 17.7-174.4 -97.7 143.6 9.6 27.3 17.8 53 1053 A S E +EF 112 62B 8 59,-1.7 59,-1.1 -2,-0.4 2,-0.3 -0.998 11.6 151.1-137.2 143.0 10.9 27.4 21.4 54 1054 A A E - F 0 61B 9 7,-2.0 7,-2.5 -2,-0.3 2,-0.8 -0.984 49.8-105.6-159.9 160.7 14.0 26.0 22.9 55 1055 A R E - F 0 60B 188 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.865 43.8-173.8 -87.8 110.1 16.5 26.5 25.7 56 1056 A I E > - F 0 59B 13 3,-3.0 3,-2.1 -2,-0.8 42,-0.1 -0.952 68.9 -18.5-115.9 115.4 19.5 27.9 23.8 57 1057 A D T 3 S- 0 0 163 -2,-0.5 -1,-0.2 1,-0.3 3,-0.1 0.879 130.9 -50.8 49.6 42.3 22.6 28.4 25.8 58 1058 A G T 3 S+ 0 0 54 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.310 120.0 97.9 86.3 -7.5 20.6 28.2 29.0 59 1059 A N E < S-F 56 0B 118 -3,-2.1 -3,-3.0 -5,-0.0 2,-0.3 -0.901 76.7-108.0-119.5 146.6 17.9 30.8 28.0 60 1060 A L E -F 55 0B 125 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.521 35.9-175.5 -66.6 131.1 14.5 30.5 26.6 61 1061 A V E -F 54 0B 7 -7,-2.5 -7,-2.0 -2,-0.3 2,-0.4 -1.000 4.2-178.1-131.4 129.5 14.3 31.6 22.9 62 1062 A I E +F 53 0B 75 -2,-0.4 -9,-0.2 -9,-0.2 36,-0.1 -0.992 7.6 169.6-126.7 132.3 10.9 31.8 21.0 63 1063 A R E -F 52 0B 99 -11,-2.2 -11,-2.7 -2,-0.4 2,-0.3 -0.999 29.0-119.8-144.0 147.4 10.7 32.8 17.3 64 1064 A P E +F 51 0B 74 0, 0.0 2,-0.3 0, 0.0 -13,-0.2 -0.600 29.1 179.3 -85.6 145.9 7.9 32.7 14.7 65 1065 A Y E -F 50 0B 42 -15,-2.5 -15,-2.7 -2,-0.3 16,-0.1 -0.998 22.3-148.6-142.4 143.4 8.2 30.7 11.4 66 1066 A T - 0 0 10 -2,-0.3 14,-0.3 -17,-0.2 -17,-0.1 -0.944 30.6-130.3-107.4 115.0 5.9 30.2 8.5 67 1067 A P - 0 0 4 0, 0.0 12,-0.2 0, 0.0 93,-0.1 -0.151 4.7-140.0 -57.7 156.6 6.4 26.7 7.0 68 1068 A V S S+ 0 0 41 10,-2.2 11,-0.2 2,-0.1 2,-0.1 0.482 87.5 77.0 -91.2 -10.3 7.0 26.2 3.3 69 1069 A S S S- 0 0 12 9,-1.1 2,-0.3 4,-0.0 8,-0.1 -0.303 71.9-153.6 -79.8 177.7 4.8 23.1 3.5 70 1070 A S > - 0 0 53 -2,-0.1 3,-1.8 -24,-0.0 -28,-0.3 -0.843 38.5 -84.2-140.5-178.8 1.0 23.4 3.8 71 1071 A D T 3 S+ 0 0 53 -27,-0.3 -2,-0.0 1,-0.3 6,-0.0 0.564 120.5 72.9 -72.3 -4.8 -1.9 21.4 5.2 72 1072 A D T 3 S+ 0 0 85 -31,-0.1 2,-0.5 2,-0.1 -1,-0.3 0.658 80.1 89.0 -73.9 -21.0 -1.8 19.5 1.9 73 1073 A D S < S- 0 0 50 -3,-1.8 2,-0.4 3,-0.1 -31,-0.4 -0.707 70.3-148.3 -87.5 122.9 1.4 17.7 3.1 74 1074 A K + 0 0 110 -2,-0.5 -33,-0.2 1,-0.2 -35,-0.1 -0.781 69.6 1.0 -88.7 130.8 0.9 14.6 5.1 75 1075 A G S S+ 0 0 11 -35,-3.2 -40,-2.3 -2,-0.4 2,-0.3 0.282 114.3 53.9 90.1 -10.2 3.2 13.5 7.8 76 1076 A F E -D 34 0B 41 -42,-0.3 2,-0.4 -36,-0.2 -34,-0.2 -0.977 56.5-143.6-151.6 164.1 5.8 16.3 7.9 77 1077 A V E -D 33 0B 0 -44,-2.1 -44,-2.7 -2,-0.3 2,-0.4 -0.996 18.3-152.6-131.2 135.9 6.4 20.1 8.2 78 1078 A D E -D 32 0B 14 -2,-0.4 -10,-2.2 -46,-0.2 -9,-1.1 -0.941 8.3-170.9-112.6 130.0 9.2 21.9 6.3 79 1079 A L E -D 31 0B 0 -48,-2.6 -48,-3.0 -2,-0.4 2,-0.5 -0.977 12.1-151.9-115.5 129.1 10.9 25.1 7.4 80 1080 A V E -D 30 0B 22 -2,-0.4 2,-0.4 -14,-0.3 -50,-0.2 -0.910 25.6-169.9 -96.9 127.3 13.2 27.1 5.2 81 1081 A I E -D 29 0B 4 -52,-2.6 -52,-2.5 -2,-0.5 2,-0.6 -0.976 25.7-145.4-128.3 129.6 15.7 28.9 7.4 82 1082 A K E -D 28 0B 16 -2,-0.4 2,-0.6 -54,-0.2 -54,-0.2 -0.839 28.4-138.8 -86.2 118.8 18.3 31.6 6.9 83 1083 A V - 0 0 2 -56,-3.3 2,-1.1 -2,-0.6 17,-0.0 -0.758 6.8-152.1 -86.5 122.8 21.1 30.7 9.2 84 1084 A Y - 0 0 106 -2,-0.6 12,-1.9 12,-0.1 16,-0.2 -0.773 19.3-162.3 -89.0 85.8 22.6 33.8 11.0 85 1085 A F > - 0 0 56 -2,-1.1 3,-0.7 10,-0.2 4,-0.5 -0.511 20.8-108.9 -74.5 146.4 26.1 32.8 11.6 86 1086 A K T 3 S+ 0 0 127 8,-0.3 8,-0.2 1,-0.2 -1,-0.1 -0.223 98.3 27.1 -58.3 156.9 28.2 34.7 14.1 87 1087 A D T 3 S+ 0 0 130 6,-2.7 -1,-0.2 5,-0.2 7,-0.1 0.782 96.8 94.5 59.0 36.2 31.1 36.8 12.9 88 1088 A T S < S+ 0 0 99 -3,-0.7 -2,-0.1 4,-0.4 -1,-0.1 0.714 76.8 45.2-116.5 -60.3 29.5 37.6 9.5 89 1089 A H S > S- 0 0 59 -4,-0.5 3,-1.6 3,-0.4 -1,-0.3 -0.688 72.6-140.6 -98.1 129.2 27.6 40.9 9.7 90 1090 A P T 3 S+ 0 0 121 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.781 102.2 49.8 -63.0 -24.7 29.3 43.7 11.5 91 1091 A K T 3 S+ 0 0 173 1,-0.2 -2,-0.0 2,-0.1 0, 0.0 0.546 116.9 41.0 -86.6 -10.3 26.1 44.9 13.2 92 1092 A F X + 0 0 131 -3,-1.6 3,-2.4 1,-0.1 -3,-0.4 -0.491 63.2 163.0-135.6 57.3 25.3 41.4 14.5 93 1093 A P T 3 S+ 0 0 79 0, 0.0 -6,-2.7 0, 0.0 -1,-0.1 0.812 76.8 53.0 -53.1 -34.6 28.5 39.8 15.7 94 1094 A A T 3 S- 0 0 77 -8,-0.2 -8,-0.3 1,-0.2 -10,-0.0 0.604 98.3-148.7 -76.6 -11.1 26.7 37.1 17.7 95 1095 A G < - 0 0 22 -3,-2.4 2,-0.3 -10,-0.3 -10,-0.2 -0.156 41.5 -35.8 62.8-173.4 24.6 36.0 14.8 96 1096 A G > - 0 0 16 -12,-1.9 4,-1.5 1,-0.1 5,-0.2 -0.671 44.8-147.8 -95.6 138.7 21.1 34.7 15.4 97 1097 A K H > S+ 0 0 131 -2,-0.3 4,-1.9 2,-0.2 5,-0.1 0.970 93.2 32.7 -69.1 -62.0 20.1 32.5 18.4 98 1098 A M H > S+ 0 0 2 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.896 117.8 53.9 -67.3 -38.3 17.4 30.2 17.0 99 1099 A S H > S+ 0 0 9 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.913 111.4 44.6 -68.4 -38.0 18.8 29.9 13.5 100 1100 A Q H X S+ 0 0 36 -4,-1.5 4,-1.3 -16,-0.2 -1,-0.2 0.866 112.2 53.8 -69.7 -34.2 22.2 28.8 14.8 101 1101 A Y H >X S+ 0 0 79 -4,-1.9 3,-0.6 2,-0.2 4,-0.5 0.951 108.4 49.0 -63.3 -45.3 20.5 26.4 17.2 102 1102 A L H >< S+ 0 0 0 -4,-2.9 3,-1.6 1,-0.2 -2,-0.2 0.936 107.6 55.6 -56.0 -46.7 18.5 24.9 14.4 103 1103 A E H 3< S+ 0 0 43 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.767 107.3 50.5 -58.7 -28.7 21.8 24.5 12.4 104 1104 A S H << S+ 0 0 95 -4,-1.3 -1,-0.3 -3,-0.6 -2,-0.2 0.430 84.1 114.5 -91.9 1.0 23.3 22.6 15.2 105 1105 A M << - 0 0 15 -3,-1.6 2,-0.3 -4,-0.5 3,-0.0 -0.459 59.1-137.5 -68.4 144.1 20.5 20.1 15.6 106 1106 A K > - 0 0 137 -2,-0.1 3,-2.5 1,-0.1 -88,-0.2 -0.732 34.1 -88.3 -93.6 152.7 21.2 16.4 14.9 107 1107 A I T 3 S+ 0 0 104 -2,-0.3 -88,-0.2 1,-0.3 3,-0.1 -0.387 119.9 31.3 -54.5 132.7 18.8 14.2 13.0 108 1108 A G T 3 S+ 0 0 41 -90,-2.6 -1,-0.3 1,-0.4 -89,-0.1 0.111 89.7 122.1 96.1 -18.2 16.5 12.8 15.6 109 1109 A D < - 0 0 45 -3,-2.5 -91,-3.0 -92,-0.1 -1,-0.4 -0.416 54.0-138.9 -68.6 153.2 16.6 15.8 17.9 110 1110 A T E -B 17 0B 77 -93,-0.2 2,-0.3 -3,-0.1 -93,-0.2 -0.785 16.2-169.1-111.3 159.0 13.3 17.4 18.7 111 1111 A I E -B 16 0B 4 -95,-1.6 -95,-2.7 -2,-0.3 2,-0.4 -0.989 30.5-105.1-142.8 146.3 12.2 21.0 19.0 112 1112 A E E -BE 15 53B 60 -59,-1.1 -59,-1.7 -2,-0.3 2,-0.3 -0.585 31.0-168.8 -79.6 127.7 8.9 22.4 20.3 113 1113 A F E +BE 14 52B 0 -99,-2.4 -99,-3.1 -2,-0.4 2,-0.3 -0.869 6.1 180.0-106.7 145.3 6.3 23.7 17.9 114 1114 A R E - E 0 51B 37 -63,-1.7 -63,-2.4 -2,-0.3 -101,-0.1 -0.997 24.9 -13.5-145.2 139.7 3.3 25.7 19.0 115 1115 A G E - 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0 0 56 -3,-0.1 4,-2.0 33,-0.1 5,-0.2 -0.794 47.0 -85.1-142.8 178.4 10.7 53.5 -1.7 226 1226 A E H > S+ 0 0 67 -2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.908 123.0 51.3 -58.3 -46.1 7.8 55.4 -3.0 227 1227 A E H > S+ 0 0 133 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.899 109.1 51.0 -60.2 -42.2 8.6 54.7 -6.7 228 1228 A M H > S+ 0 0 7 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.871 110.0 49.3 -64.3 -38.5 8.9 51.0 -6.0 229 1229 A I H X S+ 0 0 1 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.907 113.1 47.3 -66.0 -40.6 5.5 50.9 -4.3 230 1230 A R H < S+ 0 0 134 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.887 120.0 39.1 -62.7 -39.3 3.9 52.8 -7.2 231 1231 A D H < S+ 0 0 101 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.682 126.5 29.7 -86.8 -19.4 5.5 50.5 -9.7 232 1232 A H H < S+ 0 0 34 -4,-1.7 -3,-0.2 -5,-0.2 -2,-0.2 0.380 108.8 60.5-132.0 4.0 5.2 47.1 -8.1 233 1233 A L S < S- 0 0 7 -4,-1.4 -86,-0.1 -5,-0.1 -56,-0.1 -0.902 93.7 -88.9-124.3 157.4 2.1 47.2 -5.8 234 1234 A P - 0 0 2 0, 0.0 -2,-0.1 0, 0.0 -87,-0.1 -0.316 54.3 -98.2 -60.2 149.2 -1.5 47.7 -6.9 235 1235 A P > - 0 0 51 0, 0.0 3,-1.9 0, 0.0 4,-0.2 -0.360 26.2-118.1 -69.2 152.0 -2.6 51.4 -6.9 236 1236 A P G > S+ 0 0 28 0, 0.0 3,-2.1 0, 0.0 27,-0.1 0.786 109.6 72.8 -61.9 -25.4 -4.4 52.6 -3.8 237 1237 A E G 3 S+ 0 0 158 1,-0.3 26,-0.0 2,-0.1 27,-0.0 0.805 94.3 54.3 -56.8 -30.9 -7.4 53.4 -6.1 238 1238 A E G < S- 0 0 117 -3,-1.9 -94,-0.4 -95,-0.0 -1,-0.3 0.381 106.8-130.6 -84.4 -1.1 -8.0 49.7 -6.3 239 1239 A E < - 0 0 131 -3,-2.1 -94,-0.2 -4,-0.2 -95,-0.2 0.891 37.0-177.4 53.1 49.1 -8.1 49.4 -2.5 240 1240 A P - 0 0 2 0, 0.0 2,-0.4 0, 0.0 -94,-0.2 -0.376 31.1-113.3 -68.3 155.7 -5.7 46.4 -2.2 241 1241 A L E -j 146 0D 0 -96,-1.7 -94,-2.7 -2,-0.0 2,-0.5 -0.767 31.9-147.3 -77.5 135.6 -4.8 44.8 1.1 242 1242 A V E -j 147 0D 2 -2,-0.4 28,-2.8 26,-0.4 2,-0.4 -0.949 15.0-172.3-112.5 121.5 -1.2 45.5 1.9 243 1243 A L E -jm 148 270D 0 -96,-2.5 -94,-2.6 -2,-0.5 2,-0.3 -0.917 4.2-175.4-110.6 142.7 0.8 42.9 3.8 244 1244 A M E +jm 149 271D 2 26,-2.4 28,-2.7 -2,-0.4 2,-0.3 -0.981 14.2 168.8-137.3 146.8 4.3 43.4 5.1 245 1245 A C E +j 150 0D 27 -96,-2.2 -94,-2.4 -2,-0.3 -91,-0.3 -0.831 33.7 99.6-156.6 120.2 6.9 41.3 6.8 246 1246 A G S S- 0 0 22 -2,-0.3 -94,-0.1 -96,-0.2 5,-0.1 -0.967 73.7 -39.4-177.6 179.6 10.5 42.3 7.3 247 1247 A P >> - 0 0 69 0, 0.0 4,-2.0 0, 0.0 3,-0.9 -0.183 61.3-110.9 -58.7 146.2 13.0 43.8 9.8 248 1248 A P H 3> S+ 0 0 103 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.860 116.4 52.3 -50.6 -43.6 11.5 46.6 12.0 249 1249 A P H 3>>S+ 0 0 76 0, 0.0 4,-2.4 0, 0.0 5,-0.7 0.814 107.9 53.0 -64.4 -31.5 13.6 49.4 10.4 250 1250 A M H <>>S+ 0 0 29 -3,-0.9 5,-2.2 3,-0.2 4,-1.4 0.929 113.5 42.0 -63.5 -49.0 12.4 48.3 7.0 251 1251 A I H <>S+ 0 0 25 -4,-2.0 5,-2.6 3,-0.2 -1,-0.2 0.946 120.1 43.4 -61.6 -47.7 8.8 48.5 8.1 252 1252 A Q H <5S+ 0 0 111 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.882 129.3 20.7 -68.8 -44.4 9.2 51.7 10.0 253 1253 A Y H <5S+ 0 0 156 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.800 132.7 29.7 -99.0 -39.7 11.3 53.7 7.5 254 1254 A A T < S+ 0 0 33 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.886 116.8 43.0 -63.1 -36.5 6.0 56.1 5.1 258 1258 A N H > S+ 0 0 12 -4,-0.4 4,-1.8 -3,-0.3 -2,-0.2 0.846 108.8 55.7 -80.6 -32.9 6.1 55.3 1.4 259 1259 A L H X>S+ 0 0 0 -4,-2.9 5,-2.0 1,-0.2 4,-1.1 0.934 111.9 47.1 -58.8 -43.9 2.8 53.4 1.5 260 1260 A E H ><5S+ 0 0 126 -4,-2.2 3,-0.6 -5,-0.3 -2,-0.2 0.922 106.7 55.9 -62.7 -44.7 1.3 56.6 2.9 261 1261 A R H 3<5S+ 0 0 150 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.854 108.1 48.7 -58.1 -34.8 3.0 58.8 0.3 262 1262 A V H 3<5S- 0 0 15 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.749 125.1-106.0 -76.2 -22.3 1.3 56.8 -2.4 263 1263 A G T <<5 + 0 0 48 -4,-1.1 -3,-0.2 -3,-0.6 -2,-0.1 0.440 69.2 142.5 114.6 0.8 -2.0 57.1 -0.6 264 1264 A H < - 0 0 5 -5,-2.0 2,-0.8 -6,-0.2 -1,-0.3 -0.481 65.9-101.5 -65.6 144.4 -2.6 53.7 1.0 265 1265 A P > - 0 0 43 0, 0.0 3,-1.5 0, 0.0 4,-0.5 -0.556 31.6-155.6 -69.5 116.3 -4.2 54.0 4.4 266 1266 A K G > S+ 0 0 25 -2,-0.8 3,-1.5 1,-0.3 -6,-0.1 0.883 90.2 60.3 -62.9 -40.8 -1.2 53.4 6.6 267 1267 A E G 3 S+ 0 0 172 1,-0.3 -1,-0.3 -3,-0.1 -3,-0.0 0.730 104.9 49.6 -60.0 -19.8 -3.5 52.2 9.5 268 1268 A R G < S+ 0 0 67 -3,-1.5 2,-0.5 2,-0.1 -26,-0.4 0.490 80.6 109.2 -99.9 -2.8 -4.8 49.3 7.3 269 1269 A C < - 0 0 17 -3,-1.5 2,-0.4 -4,-0.5 -26,-0.2 -0.703 65.6-142.7 -78.5 120.0 -1.3 48.1 6.1 270 1270 A F E -m 243 0D 30 -28,-2.8 -26,-2.4 -2,-0.5 2,-0.5 -0.779 12.5-159.9 -95.7 129.3 -0.9 44.7 8.0 271 1271 A A E m 244 0D 51 -2,-0.4 -26,-0.2 -28,-0.2 -28,-0.0 -0.934 360.0 360.0-106.0 123.6 2.4 43.5 9.4 272 1272 A F 0 0 68 -28,-2.7 -26,-0.2 -2,-0.5 -224,-0.1 -0.279 360.0 360.0 -65.4 360.0 2.9 39.8 10.1