==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 13-APR-07 2PI7 . COMPND 2 MOLECULE: PROTEIN TYROSINE PHOSPHATASE CRYP-2; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR T.S.GIRISH,B.GOPAL . 583 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26730.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 398 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 4.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 76 13.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 9 1.5 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 0.2 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 . 52 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 66 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 154 26.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 0 0 1 1 1 3 2 0 0 1 0 0 0 2 0 0 0 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 4 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 . 2 4 2 2 0 0 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 0 0 0 0 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 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 1 960 A L 0 0 98 0, 0.0 335,-0.1 0, 0.0 38,-0.0 0.000 360.0 360.0 360.0 162.4 -0.6 -0.0 18.0 2 961 A K + 0 0 44 1,-0.1 3,-0.1 37,-0.1 34,-0.0 -0.189 360.0 149.1 -54.3 143.9 -0.8 2.3 14.9 3 962 A K + 0 0 124 1,-0.1 2,-0.4 333,-0.1 -1,-0.1 0.306 39.6 96.1-159.0 1.5 2.5 3.4 13.5 4 963 A R S S- 0 0 199 333,-0.0 2,-0.9 0, 0.0 -1,-0.1 -0.870 72.2-125.6-105.1 135.0 2.1 3.8 9.8 5 964 A K - 0 0 82 -2,-0.4 2,-0.2 -3,-0.1 253,-0.1 -0.690 31.0-134.5 -78.3 107.7 1.3 7.2 8.2 6 965 A L + 0 0 25 -2,-0.9 2,-0.3 251,-0.1 255,-0.1 -0.440 47.8 131.8 -66.9 133.1 -1.8 6.6 6.2 7 966 A T + 0 0 64 -2,-0.2 249,-0.1 254,-0.1 248,-0.0 -0.854 25.6 173.2-177.6 142.4 -1.7 8.1 2.8 8 967 A N - 0 0 67 -2,-0.3 2,-0.3 2,-0.0 249,-0.3 -0.388 16.7-160.9-160.3 74.8 -2.4 7.1 -0.8 9 968 A P - 0 0 68 0, 0.0 2,-0.5 0, 0.0 246,-0.3 -0.426 13.7-161.9 -61.9 115.7 -2.1 9.9 -3.4 10 969 A V E -A 254 0A 13 244,-2.9 244,-2.4 -2,-0.3 2,-0.2 -0.897 21.1-116.7-108.2 131.2 -4.0 8.8 -6.5 11 970 A Q E > -A 253 0A 93 -2,-0.5 3,-2.1 242,-0.2 242,-0.3 -0.425 24.4-127.2 -62.7 128.6 -3.5 10.5 -9.8 12 971 A L G > S+ 0 0 5 240,-2.0 3,-1.1 1,-0.3 4,-0.4 0.762 107.3 58.5 -50.9 -32.1 -6.7 12.1 -11.0 13 972 A D G 3 S+ 0 0 80 239,-0.4 -1,-0.3 1,-0.2 4,-0.2 0.727 108.4 46.7 -72.9 -19.6 -6.7 10.4 -14.4 14 973 A D G <> S+ 0 0 103 -3,-2.1 4,-2.3 1,-0.1 -1,-0.2 0.217 83.3 101.7-102.7 12.3 -6.7 7.0 -12.6 15 974 A F H <> S+ 0 0 8 -3,-1.1 4,-3.4 2,-0.2 5,-0.4 0.936 77.5 51.9 -63.6 -46.9 -9.4 8.0 -10.2 16 975 A D H > S+ 0 0 84 -4,-0.4 4,-1.4 1,-0.2 -1,-0.2 0.930 116.7 41.3 -54.8 -46.2 -12.2 6.1 -12.0 17 976 A G H > S+ 0 0 37 -4,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.831 115.5 51.9 -70.6 -31.7 -10.1 3.0 -12.0 18 977 A Y H X S+ 0 0 36 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.921 111.9 42.9 -71.5 -45.4 -8.9 3.6 -8.4 19 978 A I H X S+ 0 0 27 -4,-3.4 4,-1.0 2,-0.2 -1,-0.2 0.789 111.8 57.6 -71.6 -25.8 -12.4 4.1 -6.9 20 979 A K H >X S+ 0 0 124 -4,-1.4 4,-0.9 -5,-0.4 3,-0.8 0.965 108.5 44.6 -65.8 -51.6 -13.5 1.1 -9.0 21 980 A D H 3< S+ 0 0 68 -4,-2.1 3,-0.5 1,-0.3 8,-0.4 0.845 110.9 54.3 -60.7 -36.6 -10.9 -1.1 -7.3 22 981 A M H 3< S+ 0 0 3 -4,-1.9 8,-1.5 1,-0.2 -1,-0.3 0.713 108.4 50.8 -70.2 -21.2 -11.8 0.4 -3.9 23 982 A A H X S+ 0 0 126 -4,-2.7 4,-1.8 1,-0.2 3,-0.6 0.979 72.7 36.2 -61.2 -60.3 -13.4 -4.3 0.5 29 988 A K H 3> S+ 0 0 87 -5,-0.4 4,-2.3 -8,-0.4 5,-0.3 0.845 108.9 62.8 -65.6 -35.0 -10.6 -1.8 0.3 30 989 A F H 3> S+ 0 0 6 -8,-1.5 4,-1.8 1,-0.2 -1,-0.2 0.859 108.9 45.9 -57.8 -31.4 -12.7 1.2 1.3 31 990 A S H X S+ 0 0 102 -4,-1.3 3,-1.4 -5,-0.3 4,-0.9 0.815 106.1 59.9 -77.2 -30.5 -7.4 1.9 10.1 37 996 A L H >< S+ 0 0 0 -4,-2.0 3,-0.6 1,-0.3 -1,-0.2 0.869 99.2 60.6 -61.8 -34.2 -8.5 5.5 9.8 38 997 A K T 3< S+ 0 0 91 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.595 96.3 59.9 -70.1 -11.6 -10.6 4.7 13.0 39 998 A L T X4 S+ 0 0 89 -3,-1.4 3,-1.7 -4,-0.1 4,-0.2 0.810 80.3 113.4 -86.1 -30.2 -7.4 3.9 14.9 40 999 A I T << S- 0 0 25 -4,-0.9 229,-0.2 -3,-0.6 4,-0.1 0.045 86.2 -2.8 -44.2 142.7 -5.9 7.3 14.4 41 1000 A G T > S+ 0 0 16 1,-0.2 3,-1.5 2,-0.1 -1,-0.2 0.485 84.3 132.9 52.6 6.4 -5.4 9.6 17.5 42 1001 A L T < S+ 0 0 119 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.816 74.2 48.6 -56.2 -28.4 -7.0 7.1 19.8 43 1002 A D T 3 S+ 0 0 129 -4,-0.2 -1,-0.3 2,-0.0 -2,-0.1 -0.201 83.9 117.3-108.6 45.0 -4.1 7.6 22.2 44 1003 A I < - 0 0 22 -3,-1.5 513,-0.0 -4,-0.1 292,-0.0 -0.925 67.9-109.0-111.8 130.2 -4.0 11.4 22.3 45 1004 A P + 0 0 20 0, 0.0 22,-2.0 0, 0.0 23,-0.3 -0.155 37.8 166.4 -58.3 149.1 -4.7 13.3 25.5 46 1005 A H + 0 0 54 20,-0.3 4,-0.4 21,-0.1 3,-0.2 -0.164 22.0 141.7-156.5 45.2 -7.9 15.2 26.0 47 1006 A F >> + 0 0 121 1,-0.2 3,-2.1 2,-0.2 4,-0.8 0.866 66.6 63.5 -60.6 -43.5 -7.9 15.9 29.8 48 1007 A A G >4 S+ 0 0 9 1,-0.3 3,-1.5 2,-0.2 -1,-0.2 0.940 102.1 53.2 -48.0 -47.5 -9.3 19.4 29.6 49 1008 A A G 34 S+ 0 0 0 16,-0.4 -1,-0.3 1,-0.3 -2,-0.2 0.682 106.5 53.5 -63.4 -17.6 -12.4 17.8 28.2 50 1009 A D G <4 S+ 0 0 54 -3,-2.1 -1,-0.3 -4,-0.4 -2,-0.2 0.495 75.0 122.1 -96.3 -5.7 -12.6 15.4 31.2 51 1010 A L S XX S- 0 0 61 -3,-1.5 3,-2.5 -4,-0.8 4,-1.0 -0.377 75.5-114.9 -59.8 133.8 -12.5 18.1 33.9 52 1011 A P T 34 S+ 0 0 98 0, 0.0 4,-0.3 0, 0.0 3,-0.3 0.767 113.6 44.7 -36.9 -44.9 -15.6 17.8 36.1 53 1012 A M T 34 S+ 0 0 84 1,-0.2 3,-0.2 2,-0.1 4,-0.1 0.583 105.4 59.3 -85.1 -10.1 -17.0 21.2 35.1 54 1013 A N T X4 S+ 0 0 0 -3,-2.5 3,-1.6 -6,-0.2 4,-0.3 0.634 85.0 83.0 -89.5 -13.0 -16.3 20.8 31.3 55 1014 A R G >< S+ 0 0 134 -4,-1.0 3,-1.3 -3,-0.3 -1,-0.2 0.856 87.4 52.4 -56.9 -39.4 -18.5 17.7 31.2 56 1015 A C G 3 S+ 0 0 82 -4,-0.3 -1,-0.3 1,-0.2 52,-0.2 0.615 103.8 59.9 -74.7 -8.8 -21.7 19.8 30.9 57 1016 A K G < S+ 0 0 30 -3,-1.6 2,-0.6 -8,-0.1 29,-0.5 0.392 86.3 90.8 -95.9 -0.5 -20.1 21.7 28.0 58 1017 A N < - 0 0 11 -3,-1.3 3,-0.1 -4,-0.3 6,-0.1 -0.869 63.5-157.5-100.4 121.1 -19.7 18.5 26.0 59 1018 A R S S+ 0 0 35 -2,-0.6 2,-0.4 1,-0.2 -1,-0.2 0.918 86.6 21.5 -61.0 -41.5 -22.7 17.8 23.7 60 1019 A Y S > S- 0 0 70 3,-0.4 3,-1.1 170,-0.1 -1,-0.2 -0.983 72.4-137.9-128.9 138.2 -21.7 14.1 23.7 61 1020 A T T 3 S+ 0 0 117 -2,-0.4 3,-0.1 1,-0.2 -1,-0.1 0.676 104.0 50.1 -70.5 -13.4 -19.6 12.3 26.3 62 1021 A N T 3 S+ 0 0 113 1,-0.2 2,-0.5 -4,-0.0 -1,-0.2 0.372 97.0 70.7-105.7 4.8 -17.8 10.4 23.5 63 1022 A I < + 0 0 15 -3,-1.1 -3,-0.4 206,-0.0 -4,-0.2 -0.869 65.0 153.4-124.2 95.6 -16.8 13.3 21.2 64 1023 A L - 0 0 11 -2,-0.5 204,-0.6 -3,-0.1 2,-0.3 -0.800 41.9-108.4-121.5 161.0 -14.1 15.4 22.9 65 1024 A P - 0 0 0 0, 0.0 -16,-0.4 0, 0.0 2,-0.2 -0.651 31.0-115.0 -90.9 147.4 -11.3 17.7 21.7 66 1025 A Y > - 0 0 6 200,-0.5 4,-1.2 -2,-0.3 -20,-0.3 -0.569 24.9-126.8 -74.6 142.9 -7.6 16.7 21.9 67 1026 A D T >4 S+ 0 0 24 -22,-2.0 3,-0.9 -2,-0.2 -1,-0.1 0.947 103.4 56.9 -54.8 -54.1 -5.7 19.1 24.3 68 1027 A F T 34 S+ 0 0 39 -23,-0.3 -1,-0.2 1,-0.2 -22,-0.1 0.848 118.8 28.3 -48.6 -44.2 -3.0 20.0 21.8 69 1028 A S T 34 S+ 0 0 5 -3,-0.2 20,-2.6 197,-0.1 -1,-0.2 0.440 89.2 123.8-102.2 0.7 -5.4 21.4 19.2 70 1029 A R B << -B 88 0B 14 -4,-1.2 2,-0.5 -3,-0.9 18,-0.3 -0.140 63.7-115.2 -62.1 157.4 -8.4 22.6 21.2 71 1030 A V - 0 0 0 16,-2.1 2,-0.4 14,-0.5 14,-0.3 -0.839 30.3-147.5 -95.1 128.1 -9.6 26.1 20.9 72 1031 A R - 0 0 70 -2,-0.5 2,-0.3 12,-0.1 12,-0.2 -0.802 4.6-138.3-103.2 136.8 -9.2 28.1 24.1 73 1032 A L - 0 0 6 10,-2.7 2,-0.4 -2,-0.4 43,-0.0 -0.666 22.2-135.6 -84.7 141.9 -11.5 30.9 25.4 74 1033 A V + 0 0 103 -2,-0.3 2,-0.3 41,-0.1 3,-0.1 -0.829 42.7 129.2-100.5 139.3 -9.6 33.9 26.9 75 1034 A S - 0 0 43 -2,-0.4 8,-0.0 2,-0.1 7,-0.0 -0.963 63.4-110.4-177.1 164.8 -10.8 35.4 30.1 76 1035 A M S S+ 0 0 184 -2,-0.3 -1,-0.1 2,-0.0 6,-0.0 0.766 76.1 117.1 -77.2 -27.8 -9.9 36.6 33.6 77 1036 A N - 0 0 93 1,-0.2 -2,-0.1 5,-0.1 5,-0.0 -0.152 47.7-166.1 -44.2 125.0 -11.9 33.8 35.3 78 1037 A E + 0 0 86 4,-0.0 2,-0.2 2,-0.0 -1,-0.2 0.095 49.9 111.3-104.4 21.8 -9.4 31.7 37.2 79 1038 A E S > S- 0 0 113 1,-0.1 3,-1.9 2,-0.0 4,-0.2 -0.531 78.8 -65.9 -96.8 164.3 -11.8 28.7 37.7 80 1039 A E T 3 S- 0 0 77 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 -0.163 114.2 -4.0 -52.1 125.2 -11.8 25.2 36.3 81 1040 A G T > S+ 0 0 10 1,-0.1 3,-3.0 -3,-0.1 -1,-0.3 0.522 83.1 143.7 70.9 7.6 -12.4 24.8 32.6 82 1041 A S T < S+ 0 0 23 -3,-1.9 -2,-0.1 1,-0.3 -5,-0.1 0.702 74.2 44.6 -50.8 -24.7 -12.9 28.5 32.2 83 1042 A D T 3 S+ 0 0 48 -4,-0.2 -10,-2.7 -11,-0.1 -1,-0.3 0.380 93.6 122.1-102.1 5.6 -11.1 28.5 28.8 84 1043 A Y < + 0 0 0 -3,-3.0 2,-0.3 -12,-0.2 -12,-0.1 -0.421 21.9 149.2 -80.8 143.2 -12.9 25.4 27.6 85 1044 A I - 0 0 4 -14,-0.3 2,-2.1 -2,-0.2 -14,-0.5 -0.868 54.0-109.5-163.6 128.4 -15.1 24.8 24.6 86 1045 A N S S+ 0 0 0 -29,-0.5 17,-1.1 -2,-0.3 2,-0.3 -0.421 77.7 116.7 -64.3 84.6 -15.5 21.6 22.6 87 1046 A A E - C 0 102B 0 -2,-2.1 -16,-2.1 15,-0.2 2,-0.3 -0.991 43.9-162.8-155.0 145.4 -13.6 22.8 19.5 88 1047 A N E -BC 70 101B 0 13,-2.1 13,-2.9 -2,-0.3 -18,-0.2 -0.986 24.6-120.9-133.3 143.1 -10.4 22.0 17.6 89 1048 A Y E - C 0 100B 39 -20,-2.6 11,-0.2 -2,-0.3 9,-0.0 -0.576 30.4-156.1 -75.0 141.8 -8.3 23.9 15.1 90 1049 A I E - C 0 99B 1 9,-2.2 9,-1.7 -2,-0.2 8,-0.7 -0.984 18.9-113.4-125.9 123.0 -8.1 21.9 11.8 91 1050 A P - 0 0 16 0, 0.0 2,-0.2 0, 0.0 175,-0.0 0.065 36.0-137.2 -47.5 162.6 -5.2 22.4 9.4 92 1051 A G - 0 0 24 1,-0.1 147,-0.0 3,-0.1 5,-0.0 -0.739 26.7-123.6-125.7 170.5 -5.8 23.9 6.0 93 1052 A Y S S+ 0 0 66 -2,-0.2 -1,-0.1 2,-0.1 150,-0.0 0.757 125.3 28.4 -76.7 -24.3 -5.1 23.8 2.3 94 1053 A N S S- 0 0 80 1,-0.3 -1,-0.1 275,-0.0 149,-0.0 0.824 136.2 -12.0-101.7 -44.3 -4.0 27.4 2.9 95 1054 A S > - 0 0 53 274,-0.1 3,-1.0 273,-0.0 -1,-0.3 -0.998 69.8 -92.9-159.6 154.6 -2.9 27.4 6.5 96 1055 A P T 3 S+ 0 0 90 0, 0.0 -6,-0.0 0, 0.0 -3,-0.0 -0.377 114.3 24.4 -65.7 148.8 -2.9 25.4 9.8 97 1056 A Q T 3 S+ 0 0 108 1,-0.1 -8,-0.0 126,-0.0 3,-0.0 0.818 79.3 142.0 64.4 29.3 -5.9 26.4 12.0 98 1057 A E < + 0 0 16 -3,-1.0 126,-2.1 -8,-0.7 2,-0.3 0.775 68.5 29.2 -71.7 -27.8 -7.7 27.5 8.8 99 1058 A Y E -Cd 90 224B 0 -9,-1.7 -9,-2.2 124,-0.3 2,-0.4 -0.862 68.3-142.7-127.5 167.3 -10.9 26.0 10.3 100 1059 A I E -Cd 89 225B 0 124,-2.0 126,-2.3 -2,-0.3 2,-0.6 -1.000 15.4-155.7-128.2 125.7 -12.4 25.4 13.7 101 1060 A A E +Cd 88 226B 0 -13,-2.9 -13,-2.1 -2,-0.4 2,-0.3 -0.924 25.5 162.1-105.8 117.1 -14.4 22.2 14.2 102 1061 A T E -Cd 87 227B 2 124,-1.3 126,-0.8 -2,-0.6 -15,-0.2 -0.848 39.0-108.5-129.7 168.6 -17.0 22.4 17.0 103 1062 A Q - 0 0 6 -17,-1.1 127,-0.2 -2,-0.3 126,-0.1 -0.294 57.6 -79.6 -81.4 172.4 -20.1 20.6 18.1 104 1063 A G - 0 0 0 125,-2.7 -1,-0.1 34,-0.3 -45,-0.1 -0.632 63.4 -97.3 -73.6 136.8 -23.4 22.3 17.7 105 1064 A P - 0 0 4 0, 0.0 35,-2.2 0, 0.0 37,-0.2 -0.260 36.7-137.8 -56.9 142.1 -23.6 24.8 20.7 106 1065 A L >> - 0 0 22 33,-0.1 3,-1.5 -49,-0.1 4,-1.2 -0.539 28.9-103.6 -93.4 163.7 -25.6 23.6 23.7 107 1066 A P T 34 S+ 0 0 59 0, 0.0 4,-0.3 0, 0.0 3,-0.2 0.907 125.0 44.8 -56.1 -34.8 -28.0 25.9 25.5 108 1067 A E T 34 S+ 0 0 119 1,-0.2 -52,-0.0 -52,-0.2 4,-0.0 0.400 115.8 41.9 -91.1 2.4 -25.3 26.2 28.2 109 1068 A T T <> S+ 0 0 5 -3,-1.5 4,-1.8 2,-0.1 3,-0.3 0.302 85.4 103.1-122.3 2.2 -22.2 26.7 26.0 110 1069 A R H X S+ 0 0 65 -4,-1.2 4,-1.5 1,-0.3 3,-0.5 0.912 80.1 47.8 -49.3 -56.3 -24.0 29.1 23.7 111 1070 A N H > S+ 0 0 72 -4,-0.3 4,-1.6 1,-0.2 -1,-0.3 0.836 109.4 56.1 -58.3 -32.8 -22.4 32.2 25.1 112 1071 A D H > S+ 0 0 30 -3,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.857 102.3 56.9 -66.1 -37.0 -19.0 30.5 24.9 113 1072 A F H X S+ 0 0 3 -4,-1.8 4,-2.4 -3,-0.5 -2,-0.2 0.927 107.6 45.4 -61.4 -45.7 -19.6 29.9 21.2 114 1073 A W H X S+ 0 0 0 -4,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.859 109.6 55.4 -68.2 -34.6 -20.1 33.6 20.5 115 1074 A K H X S+ 0 0 44 -4,-1.6 4,-3.5 2,-0.2 5,-0.3 0.960 109.7 46.9 -60.4 -49.7 -17.1 34.5 22.6 116 1075 A M H X S+ 0 0 1 -4,-2.4 4,-3.0 1,-0.2 6,-0.4 0.930 108.7 56.3 -56.8 -46.8 -15.0 32.1 20.5 117 1076 A V H <>S+ 0 0 0 -4,-2.4 5,-1.3 1,-0.2 4,-0.3 0.888 115.9 35.9 -53.2 -43.0 -16.5 33.6 17.3 118 1077 A L H <5S+ 0 0 6 -4,-2.2 3,-0.3 3,-0.2 -2,-0.2 0.911 117.7 49.4 -80.2 -43.8 -15.4 37.1 18.3 119 1078 A Q H <5S+ 0 0 68 -4,-3.5 -2,-0.2 1,-0.2 -3,-0.2 0.850 116.7 42.1 -65.2 -33.8 -12.1 36.2 19.9 120 1079 A Q T <5S- 0 0 38 -4,-3.0 -1,-0.2 -5,-0.3 -2,-0.2 0.573 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-99,-3.0 -2,-0.4 -98,-0.2 -0.983 20.0 170.9-154.8 165.2 -20.0 22.7 12.8 228 1187 A C - 0 0 3 -126,-0.8 -99,-0.2 -2,-0.3 -34,-0.0 0.011 63.5 -55.3-139.8-111.7 -22.9 20.2 12.8 229 1188 A S S S+ 0 0 0 -126,-0.1 -125,-2.7 -101,-0.1 -170,-0.1 0.737 132.9 10.3-108.5 -74.7 -24.1 18.2 15.8 230 1189 A A S S- 0 0 18 -127,-0.2 -170,-0.1 -171,-0.1 -171,-0.1 0.682 101.8-131.0 -76.6 -15.7 -21.2 16.2 17.3 231 1190 A G S S+ 0 0 0 -128,-0.1 -128,-0.1 1,-0.0 -5,-0.1 0.830 83.8 78.7 71.4 36.1 -19.1 18.3 15.0 232 1191 A V S > S+ 0 0 2 37,-0.1 39,-2.7 38,-0.1 4,-0.6 0.592 84.9 42.6-139.3 -42.3 -17.1 15.5 13.4 233 1192 A G H > S+ 0 0 5 37,-0.2 4,-2.0 38,-0.2 5,-0.2 0.977 127.5 24.2 -77.4 -62.0 -19.0 13.5 10.7 234 1193 A R H > S+ 0 0 1 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.869 126.8 51.9 -72.1 -34.3 -20.7 16.2 8.7 235 1194 A T H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.827 111.1 49.1 -68.8 -32.6 -18.1 18.7 9.8 236 1195 A G H X S+ 0 0 0 -4,-0.6 4,-1.6 2,-0.2 -2,-0.2 0.868 109.8 48.3 -75.9 -37.9 -15.3 16.3 8.7 237 1196 A T H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.813 112.4 51.9 -72.9 -28.0 -16.7 15.6 5.3 238 1197 A F H X S+ 0 0 0 -4,-1.5 4,-2.3 2,-0.2 3,-0.3 0.991 106.8 49.0 -69.8 -60.9 -17.2 19.3 4.7 239 1198 A I H X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.3 -2,-0.2 0.870 113.5 50.6 -45.7 -40.0 -13.7 20.4 5.5 240 1199 A A H X S+ 0 0 0 -4,-1.6 4,-2.5 1,-0.2 -1,-0.3 0.929 108.7 50.0 -64.0 -46.4 -12.5 17.6 3.2 241 1200 A L H X S+ 0 0 1 -4,-2.0 4,-1.3 -3,-0.3 -1,-0.2 0.807 109.9 51.6 -62.0 -30.6 -14.7 18.7 0.4 242 1201 A D H X S+ 0 0 0 -4,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.913 110.9 48.1 -73.3 -44.1 -13.4 22.2 0.8 243 1202 A W H >X S+ 0 0 8 -4,-2.0 4,-2.9 -5,-0.3 3,-1.0 0.989 111.7 47.5 -55.5 -67.5 -9.8 21.1 0.6 244 1203 A L H 3X S+ 0 0 4 -4,-2.5 4,-2.8 1,-0.3 5,-0.4 0.776 104.1 62.2 -47.6 -34.3 -10.3 18.9 -2.4 245 1204 A L H 3X S+ 0 0 32 -4,-1.3 4,-1.1 -5,-0.2 -1,-0.3 0.956 115.1 33.8 -59.9 -46.0 -12.1 21.7 -4.2 246 1205 A Q H + 0 0 37 -2,-0.3 4,-2.4 -246,-0.3 3,-0.5 -0.459 19.7 163.3-141.9 62.9 -4.9 12.0 -1.4 256 1215 A I H > S+ 0 0 5 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.847 77.1 55.8 -49.3 -42.2 -8.2 11.6 0.4 257 1216 A L H > S+ 0 0 11 -249,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.913 110.3 43.8 -61.2 -43.8 -6.7 9.0 2.7 258 1217 A G H > S+ 0 0 6 -3,-0.5 4,-1.8 2,-0.2 -1,-0.2 0.870 113.5 53.1 -68.9 -35.0 -4.0 11.4 3.8 259 1218 A L H X S+ 0 0 29 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.950 114.1 39.1 -63.4 -53.8 -6.5 14.2 4.1 260 1219 A V H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.887 115.6 53.1 -65.0 -39.7 -8.9 12.3 6.4 261 1220 A S H < S+ 0 0 7 -4,-2.2 -1,-0.2 -5,-0.3 4,-0.2 0.847 110.8 49.6 -64.3 -33.8 -6.0 10.8 8.3 262 1221 A D H >< S+ 0 0 52 -4,-1.8 3,-3.0 -5,-0.2 4,-0.4 0.996 110.3 46.8 -66.7 -65.3 -4.7 14.3 8.8 263 1222 A M H >X S+ 0 0 2 -4,-2.7 3,-2.6 1,-0.3 4,-1.2 0.875 105.7 61.3 -42.1 -51.6 -8.0 15.8 10.0 264 1223 A R T 3< S+ 0 0 15 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.544 96.1 59.7 -57.6 -10.2 -8.5 12.9 12.4 265 1224 A S T <4 S+ 0 0 35 -3,-3.0 -1,-0.3 -4,-0.2 -2,-0.2 0.484 107.7 45.4 -96.9 -2.3 -5.3 13.7 14.3 266 1225 A Y T <4 S+ 0 0 37 -3,-2.6 -200,-0.5 1,-0.4 2,-0.3 0.598 131.9 6.0-107.8 -23.1 -6.6 17.2 15.2 267 1226 A R S >< S- 0 0 0 -4,-1.2 3,-0.9 -202,-0.1 -1,-0.4 -0.928 84.9-106.1-161.5 137.7 -10.1 16.1 16.3 268 1227 A M T 3 S+ 0 0 31 -204,-0.6 3,-0.1 -2,-0.3 -3,-0.1 -0.238 93.0 14.8 -69.4 153.5 -11.6 12.6 16.7 269 1228 A S T 3 S+ 0 0 34 1,-0.2 2,-0.2 -229,-0.2 -1,-0.2 0.489 71.7 173.1 64.0 8.3 -14.1 11.0 14.3 270 1229 A M S < S+ 0 0 0 -3,-0.9 -37,-0.2 1,-0.2 -1,-0.2 -0.287 77.7 11.8 -51.4 110.2 -13.5 13.5 11.5 271 1230 A V S S- 0 0 0 -39,-2.7 -38,-0.2 -2,-0.2 -1,-0.2 0.924 87.5-166.0 76.5 82.0 -15.6 11.9 8.7 272 1231 A Q + 0 0 70 -4,-0.1 2,-0.3 4,-0.0 -2,-0.1 0.910 55.1 57.4 -69.7 -46.8 -17.4 9.4 11.0 273 1232 A T S >> S- 0 0 27 -77,-0.1 4,-2.4 1,-0.1 3,-0.6 -0.673 70.2-134.3 -98.6 147.3 -19.0 6.9 8.6 274 1233 A E H 3> S+ 0 0 54 -2,-0.3 4,-2.0 1,-0.3 5,-0.2 0.846 112.3 58.1 -56.3 -34.3 -17.5 4.7 5.9 275 1234 A E H 3> S+ 0 0 113 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.861 107.3 45.0 -65.6 -36.1 -20.4 5.9 3.8 276 1235 A Q H <> S+ 0 0 0 -3,-0.6 4,-1.9 2,-0.2 -2,-0.2 0.840 109.5 56.5 -75.7 -32.3 -19.3 9.5 4.3 277 1236 A Y H X S+ 0 0 0 -4,-2.4 4,-0.7 1,-0.2 -2,-0.2 0.876 113.1 40.8 -65.2 -35.3 -15.7 8.4 3.6 278 1237 A I H >X S+ 0 0 27 -4,-2.0 4,-2.1 2,-0.2 3,-0.6 0.857 105.7 63.8 -79.7 -36.1 -16.9 7.0 0.2 279 1238 A F H 3X S+ 0 0 12 -4,-2.2 4,-2.5 1,-0.3 -2,-0.2 0.917 98.8 57.3 -51.5 -43.8 -19.2 10.0 -0.4 280 1239 A I H 3X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.2 -1,-0.3 0.871 105.0 49.7 -54.5 -42.6 -16.0 12.1 -0.5 281 1240 A H H < S+ 0 0 112 -4,-2.1 3,-1.4 1,-0.2 -2,-0.2 0.929 111.4 49.3 -58.3 -44.6 -17.8 10.2 -5.4 283 1242 A C H 3< S+ 0 0 8 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.865 95.9 70.3 -62.8 -37.4 -17.5 14.0 -4.9 284 1243 A V H >< S+ 0 0 1 -4,-2.0 2,-3.6 1,-0.3 3,-1.1 0.719 71.3 88.1 -55.9 -18.7 -13.8 13.9 -6.0 285 1244 A Q T << + 0 0 79 -3,-1.4 -1,-0.3 -4,-0.6 4,-0.2 -0.231 53.2 114.5 -74.8 50.7 -15.2 13.2 -9.4 286 1245 A L T 3> + 0 0 12 -2,-3.6 4,-1.8 2,-0.2 -1,-0.3 0.333 52.9 82.1 -93.9 -9.5 -15.1 17.0 -9.2 287 1246 A M H <> S+ 0 0 26 -3,-1.1 4,-3.5 1,-0.2 5,-0.2 0.744 76.9 68.6 -68.3 -22.8 -12.6 16.4 -12.0 288 1247 A W H > S+ 0 0 141 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.963 102.2 43.3 -57.1 -52.4 -15.7 16.1 -14.1 289 1248 A Q H >> S+ 0 0 86 -4,-0.2 4,-2.0 2,-0.2 3,-0.8 0.926 115.1 50.7 -57.6 -48.4 -16.2 19.8 -13.5 290 1249 A K H 3X S+ 0 0 51 -4,-1.8 4,-1.6 1,-0.2 -2,-0.2 0.971 107.2 51.0 -53.5 -63.5 -12.4 20.4 -14.1 291 1250 A K H 3< S+ 0 0 119 -4,-3.5 -1,-0.2 3,-0.2 -2,-0.2 0.614 118.1 42.8 -51.8 -16.3 -12.2 18.5 -17.4 292 1251 A K H << S+ 0 0 129 -3,-0.8 -2,-0.2 -4,-0.8 -1,-0.2 0.900 103.7 53.1 -96.0 -72.6 -15.2 20.6 -18.6 293 1252 A Q H < 0 0 161 -4,-2.0 -2,-0.1 -5,-0.1 -3,-0.1 0.827 360.0 360.0 -31.7 -48.2 -14.9 24.3 -17.7 294 1253 A Q < 0 0 120 -4,-1.6 -3,-0.2 -5,-0.3 -4,-0.1 0.784 360.0 360.0-101.1 360.0 -11.4 24.1 -19.3 295 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 296 963 B R 0 0 128 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 173.5 -0.6 -0.7 30.8 297 964 B K - 0 0 96 2,-0.0 2,-0.3 35,-0.0 253,-0.1 -0.913 360.0-139.3-101.7 114.9 -1.1 2.5 32.7 298 965 B L + 0 0 21 -2,-0.6 2,-0.3 251,-0.1 256,-0.1 -0.602 40.3 134.9 -83.3 133.8 1.8 3.0 35.1 299 966 B T + 0 0 87 -2,-0.3 249,-0.1 250,-0.1 -2,-0.0 -0.913 16.6 166.1-170.3 144.1 1.3 4.2 38.6 300 967 B N - 0 0 63 -2,-0.3 249,-0.3 2,-0.0 248,-0.3 -0.425 19.5-160.0-165.2 79.6 2.5 3.4 42.1 301 968 B P - 0 0 75 0, 0.0 2,-0.4 0, 0.0 246,-0.2 -0.391 9.3-165.9 -66.8 143.6 1.8 5.9 44.8 302 969 B V E -K 546 0D 16 244,-2.0 244,-2.5 -2,-0.1 2,-0.2 -0.999 22.6-120.4-132.9 132.4 4.0 5.6 47.9 303 970 B Q E > -K 545 0D 90 -2,-0.4 3,-2.6 242,-0.2 4,-0.4 -0.532 21.9-131.6 -69.5 133.7 3.4 7.3 51.3 304 971 B L G > S+ 0 0 6 240,-1.6 3,-0.9 1,-0.3 4,-0.5 0.802 107.7 65.2 -57.2 -26.9 6.5 9.5 52.1 305 972 B D G 3 S+ 0 0 106 239,-0.5 -1,-0.3 1,-0.2 4,-0.1 0.645 112.2 34.7 -69.7 -13.0 6.5 7.9 55.6 306 973 B D G <> S+ 0 0 101 -3,-2.6 4,-2.6 2,-0.1 -1,-0.2 0.240 87.6 100.0-122.9 10.2 7.3 4.6 53.8 307 974 B F H <> S+ 0 0 4 -3,-0.9 4,-2.3 -4,-0.4 5,-0.3 0.847 79.6 57.2 -66.7 -32.7 9.5 5.9 51.0 308 975 B D H > S+ 0 0 98 -4,-0.5 4,-1.1 1,-0.2 -1,-0.2 0.935 112.6 39.6 -63.3 -46.6 12.6 4.9 52.8 309 976 B G H > S+ 0 0 45 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.909 112.7 60.2 -67.8 -40.2 11.6 1.3 53.0 310 977 B Y H X S+ 0 0 33 -4,-2.6 4,-1.4 1,-0.2 3,-0.2 0.943 105.6 42.5 -52.3 -61.5 10.2 1.5 49.5 311 978 B I H X S+ 0 0 33 -4,-2.3 4,-1.7 1,-0.3 -1,-0.2 0.794 112.8 55.7 -59.8 -28.0 13.4 2.4 47.6 312 979 B K H X S+ 0 0 137 -4,-1.1 4,-1.1 -5,-0.3 -1,-0.3 0.915 109.7 45.5 -70.2 -39.9 15.2 -0.2 49.8 313 980 B D H < S+ 0 0 64 -4,-2.4 8,-0.3 1,-0.2 -2,-0.2 0.685 110.1 56.3 -74.9 -17.1 12.7 -2.8 48.6 314 981 B M H < S+ 0 0 5 -4,-1.4 8,-1.6 -5,-0.2 7,-0.4 0.827 107.9 47.2 -81.0 -31.2 13.2 -1.5 45.1 315 982 B A H X S+ 0 0 41 -4,-1.7 4,-3.1 -5,-0.2 5,-0.4 0.684 84.9 113.2 -83.4 -19.1 16.9 -2.0 45.2 316 983 B K H X S+ 0 0 113 -4,-1.1 4,-1.4 1,-0.2 5,-0.5 -0.069 75.6 25.3 -52.2 154.6 16.9 -5.6 46.6 317 984 B D H 4 S- 0 0 124 1,-0.2 3,-0.3 2,-0.2 -1,-0.2 0.918 144.0 -49.4 55.6 47.3 18.1 -8.3 44.3 318 985 B S H 4 S- 0 0 114 -3,-0.3 -2,-0.2 1,-0.2 -1,-0.2 0.960 109.7 -47.9 57.2 59.3 20.3 -6.0 42.2 319 986 B D H X S+ 0 0 50 -4,-3.1 4,-3.0 3,-0.1 5,-0.4 0.712 91.1 158.2 55.1 25.3 17.6 -3.2 41.6 320 987 B Y H X S+ 0 0 119 -4,-1.4 4,-1.6 -5,-0.4 -3,-0.1 0.888 70.2 38.5 -42.4 -63.9 15.2 -6.0 40.6 321 988 B K H > S+ 0 0 73 -5,-0.5 4,-2.6 -7,-0.4 5,-0.2 0.933 115.2 56.5 -57.1 -47.2 12.0 -4.1 41.1 322 989 B F H > S+ 0 0 4 -8,-1.6 4,-2.8 1,-0.3 5,-0.2 0.940 108.7 43.5 -49.5 -57.5 13.5 -0.9 39.8 323 990 B S H X S+ 0 0 34 -4,-3.0 4,-2.5 -9,-0.2 -1,-0.3 0.791 110.5 59.6 -61.0 -26.8 14.5 -2.5 36.4 324 991 B L H X S+ 0 0 88 -4,-1.6 4,-1.2 -5,-0.4 -2,-0.2 0.969 111.0 38.6 -65.7 -51.9 11.0 -4.1 36.4 325 992 B Q H X S+ 0 0 21 -4,-2.6 4,-2.1 1,-0.2 3,-0.4 0.933 118.6 48.1 -63.9 -47.1 9.3 -0.7 36.5 326 993 B F H X S+ 0 0 2 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.915 104.5 58.8 -61.4 -44.2 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S+ 0 0 1 -4,-1.0 -2,-0.2 2,-0.2 -1,-0.2 0.890 109.2 54.9 -68.4 -37.3 14.2 8.2 44.0 574 1241 B Q H >< S+ 0 0 64 -4,-2.2 3,-1.1 1,-0.2 -2,-0.2 0.936 111.6 45.0 -60.5 -44.2 17.6 9.0 45.6 575 1242 B C H 3< S+ 0 0 3 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.848 93.1 78.9 -68.3 -32.6 16.7 12.7 45.3 576 1243 B V T >< + 0 0 0 -4,-2.1 3,-0.9 1,-0.3 -1,-0.3 0.501 60.6 99.5 -58.2 3.1 13.2 12.1 46.6 577 1244 B Q T X> + 0 0 63 -3,-1.1 4,-0.8 1,-0.3 3,-0.6 0.121 44.9 113.0 -74.1 25.4 14.8 12.0 50.1 578 1245 B L H 3> + 0 0 12 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.472 62.6 73.2 -72.9 -3.3 13.5 15.6 49.9 579 1246 B M H <4 S+ 0 0 18 -3,-0.9 4,-0.4 2,-0.2 -1,-0.2 0.898 82.5 61.6 -76.9 -44.8 11.3 14.0 52.7 580 1247 B W H X4 S+ 0 0 62 -3,-0.6 3,-1.2 1,-0.3 -2,-0.2 0.934 110.6 43.1 -46.2 -47.9 14.2 14.1 55.1 581 1248 B Q H >< S+ 0 0 103 -4,-0.8 3,-1.0 1,-0.3 -1,-0.3 0.855 104.0 61.4 -68.4 -36.3 14.1 17.8 54.6 582 1249 B K T 3< S+ 0 0 78 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.423 98.1 65.4 -70.9 7.3 10.3 18.0 54.8 583 1250 B K T < 0 0 141 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.1 -0.205 360.0 360.0-120.0 40.6 10.9 16.7 58.3 584 1251 B K < 0 0 131 -3,-1.0 -1,-0.2 0, 0.0 -2,-0.0 -0.126 360.0 360.0 178.4 360.0 12.7 19.7 59.6