==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 22-SEP-03 1R0M . COMPND 2 MOLECULE: N-ACYLAMINO ACID RACEMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: DEINOCOCCUS RADIODURANS; . AUTHOR W.-C.WANG,W.-C.CHIU,S.-K.HSU,C.-L.WU,C.-Y.CHEN,J.-S.LIU,W.- . 1440 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 53045.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 965 67.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 120 8.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 168 11.7 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 . 16 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 . 72 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 141 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 387 26.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 32 2.2 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 12 6 2 0 4 16 0 2 5 1 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 16 12 8 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 . 16 4 4 0 0 4 4 0 0 4 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 4 4 0 0 0 4 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 6 A R 0 0 261 0, 0.0 72,-0.1 0, 0.0 106,-0.0 0.000 360.0 360.0 360.0-166.4 18.5 24.9 23.1 2 7 A M - 0 0 117 1,-0.1 2,-0.4 70,-0.0 72,-0.2 -0.238 360.0-139.8 -80.7 160.8 21.7 23.1 23.9 3 8 A F E -A 73 0A 0 70,-2.4 70,-2.6 72,-0.0 2,-0.5 -0.966 1.7-146.8-124.8 137.2 23.2 20.1 22.1 4 9 A K E -A 72 0A 91 -2,-0.4 2,-0.9 68,-0.3 28,-0.3 -0.885 14.8-139.6 -99.5 127.2 25.0 17.0 23.5 5 10 A I + 0 0 0 66,-2.2 65,-3.4 -2,-0.5 66,-0.4 -0.800 29.4 170.8 -89.1 108.9 27.8 15.6 21.4 6 11 A E + 0 0 105 24,-2.2 355,-0.6 -2,-0.9 2,-0.3 0.708 55.4 5.0 -94.0 -28.5 27.2 11.8 21.7 7 12 A A E -BC 30 360B 2 23,-1.4 23,-2.8 353,-0.2 2,-0.3 -0.990 54.1-157.4-156.3 158.5 29.6 10.3 19.1 8 13 A A E -BC 29 359B 0 351,-2.3 351,-2.8 -2,-0.3 2,-0.4 -0.996 3.4-161.0-139.9 144.4 32.4 11.1 16.7 9 14 A E E -BC 28 358B 21 19,-2.5 19,-2.6 -2,-0.3 2,-0.5 -0.982 4.6-159.0-120.0 140.7 33.8 9.4 13.6 10 15 A I E -BC 27 357B 0 347,-2.1 347,-1.7 -2,-0.4 2,-0.5 -0.991 16.8-178.7-113.3 121.3 37.2 10.1 12.0 11 16 A V E -BC 26 356B 0 15,-2.3 15,-2.8 -2,-0.5 2,-0.6 -0.992 12.1-161.2-123.2 123.2 37.2 8.9 8.4 12 17 A V E -BC 25 355B 21 343,-3.0 342,-2.9 -2,-0.5 343,-1.5 -0.926 14.6-169.5-108.2 114.8 40.3 9.2 6.3 13 18 A A E -BC 24 353B 1 11,-2.6 11,-2.9 -2,-0.6 2,-0.6 -0.716 22.9-148.9-101.8 151.2 39.6 9.0 2.5 14 19 A R E -B 23 0B 103 338,-3.0 9,-0.2 -2,-0.3 -2,-0.0 -0.923 29.9-164.2-115.8 97.1 42.0 8.7 -0.4 15 20 A L E -B 22 0B 0 7,-2.5 7,-1.7 -2,-0.6 2,-0.2 -0.733 17.9-120.9 -97.5 121.4 40.1 10.6 -2.9 16 21 A P E -B 21 0B 34 0, 0.0 301,-0.9 0, 0.0 302,-0.5 -0.403 28.5-145.9 -61.2 129.5 41.0 10.3 -6.6 17 22 A L B E 316 0C 46 3,-1.9 299,-0.3 299,-0.2 298,-0.1 -0.290 360.0 360.0 -81.1 174.1 42.0 13.6 -8.2 18 23 A K 0 0 147 297,-2.0 -1,-0.1 296,-0.1 3,-0.0 -0.868 360.0 360.0 -94.4 360.0 41.3 14.7 -11.8 19 ! 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 20 34 A T 0 0 138 0, 0.0 -3,-1.9 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -44.4 46.8 12.1 -7.8 21 35 A H E -B 16 0B 71 -5,-0.2 2,-0.4 -3,-0.0 -7,-0.0 -0.883 360.0-151.7-119.3 159.8 44.9 11.0 -4.9 22 36 A K E -B 15 0B 34 -7,-1.7 -7,-2.5 -2,-0.3 2,-0.4 -0.998 16.4-123.1-124.8 139.1 44.6 13.4 -2.0 23 37 A V E -B 14 0B 57 -2,-0.4 -9,-0.2 -9,-0.2 21,-0.0 -0.673 28.1-167.4 -78.6 126.3 44.2 12.3 1.6 24 38 A V E -B 13 0B 0 -11,-2.9 -11,-2.6 -2,-0.4 2,-0.5 -0.929 5.0-158.9-121.9 103.3 41.0 13.8 3.1 25 39 A P E -B 12 0B 1 0, 0.0 15,-3.0 0, 0.0 2,-0.4 -0.745 14.5-169.7 -83.5 125.9 40.6 13.6 6.8 26 40 A L E -BD 11 39B 0 -15,-2.8 -15,-2.3 -2,-0.5 2,-0.4 -0.929 13.9-160.1-117.0 141.4 37.0 14.0 7.9 27 41 A L E -BD 10 38B 0 11,-2.6 11,-2.3 -2,-0.4 2,-0.5 -0.986 8.0-168.1-114.5 129.7 35.4 14.5 11.4 28 42 A I E -BD 9 37B 0 -19,-2.6 -19,-2.5 -2,-0.4 2,-0.4 -0.983 3.2-163.5-117.0 123.3 31.7 13.6 11.9 29 43 A L E -BD 8 36B 0 7,-2.9 7,-2.5 -2,-0.5 2,-0.4 -0.909 6.4-157.4-107.2 137.0 30.1 14.7 15.1 30 44 A H E +BD 7 35B 44 -23,-2.8 -24,-2.2 -2,-0.4 -23,-1.4 -0.935 28.2 127.4-117.4 133.0 26.7 13.2 16.1 31 45 A G E > + D 0 34B 1 3,-2.2 3,-2.3 -2,-0.4 -26,-0.1 -0.891 60.4 16.7-174.5 152.1 24.1 14.7 18.4 32 46 A E T 3 S- 0 0 98 -28,-0.3 3,-0.1 1,-0.3 -27,-0.1 0.777 125.1 -60.1 57.7 30.2 20.4 15.5 18.8 33 47 A G T 3 S+ 0 0 81 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.492 120.8 85.2 78.3 4.1 19.6 13.3 15.8 34 48 A V E < -D 31 0B 44 -3,-2.3 -3,-2.2 2,-0.0 2,-0.3 -0.728 64.0-136.3-127.3 177.3 21.7 15.3 13.3 35 49 A Q E -D 30 0B 57 -2,-0.2 2,-0.4 -5,-0.2 -5,-0.2 -0.986 2.7-154.5-138.6 146.9 25.4 15.3 12.2 36 50 A G E -D 29 0B 0 -7,-2.5 -7,-2.9 -2,-0.3 2,-0.4 -0.967 15.0-164.4-117.2 141.1 28.0 17.9 11.6 37 51 A V E +D 28 0B 6 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.979 9.6 174.4-128.9 137.8 31.0 17.2 9.2 38 52 A A E -D 27 0B 0 -11,-2.3 -11,-2.6 -2,-0.4 2,-0.4 -0.955 20.9-134.3-138.7 162.3 34.3 19.0 8.7 39 53 A E E -D 26 0B 6 -2,-0.3 -13,-0.2 -13,-0.2 2,-0.2 -0.944 17.4-129.1-121.1 127.4 37.4 18.4 6.7 40 54 A G - 0 0 1 -15,-3.0 52,-0.1 -2,-0.4 250,-0.1 -0.549 10.4-163.1 -75.5 140.9 41.0 18.7 7.9 41 55 A T + 0 0 12 -2,-0.2 2,-0.2 50,-0.1 -1,-0.1 0.257 54.2 110.4-108.0 9.2 43.4 20.8 5.8 42 56 A M - 0 0 9 10,-0.1 2,-0.2 49,-0.1 10,-0.2 -0.555 58.5-140.8 -80.2 153.4 46.6 19.5 7.3 43 57 A E B -f 52 0D 85 8,-0.7 10,-1.8 2,-0.3 11,-0.2 -0.517 27.7 -99.8-107.1 173.7 48.8 17.4 5.0 44 58 A A S S+ 0 0 50 8,-0.2 10,-0.3 -2,-0.2 -1,-0.0 0.863 112.5 29.9 -62.8 -36.2 50.9 14.3 5.7 45 59 A R S S- 0 0 102 7,-0.1 2,-1.7 8,-0.1 3,-0.3 -0.889 97.4-102.3-123.1 153.8 54.0 16.5 5.9 46 60 A P S S+ 0 0 0 0, 0.0 765,-2.8 0, 0.0 6,-0.1 -0.546 70.1 129.3 -83.0 83.7 54.3 20.1 7.0 47 61 A M S S+ 0 0 107 -2,-1.7 3,-0.1 763,-0.2 5,-0.1 0.855 76.2 29.3-103.7 -51.6 54.6 21.9 3.7 48 62 A Y S S- 0 0 31 -3,-0.3 2,-0.2 1,-0.1 -6,-0.1 0.863 138.3 -20.8 -77.7 -41.5 51.9 24.7 3.6 49 63 A R S S- 0 0 39 2,-0.3 762,-0.4 -4,-0.2 -1,-0.1 -0.779 82.5 -75.7-152.5-160.8 52.2 25.1 7.4 50 64 A E S S+ 0 0 23 -2,-0.2 2,-0.1 -4,-0.1 -8,-0.0 0.618 88.3 90.6 -89.5 -17.1 53.3 23.3 10.5 51 65 A E - 0 0 14 -6,-0.1 -8,-0.7 4,-0.0 2,-0.3 -0.434 52.4-162.8 -83.9 156.5 50.5 20.7 11.3 52 66 A T B > -f 43 0D 5 -10,-0.2 4,-2.8 -2,-0.1 5,-0.2 -0.932 32.0-114.5-133.3 159.4 50.4 17.1 10.0 53 67 A I H > S+ 0 0 23 -10,-1.8 4,-2.8 -2,-0.3 5,-0.3 0.926 116.2 51.5 -59.2 -44.5 47.7 14.5 9.7 54 68 A A H > S+ 0 0 32 -10,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.931 114.0 43.2 -60.0 -45.8 49.5 12.2 12.3 55 69 A G H > S+ 0 0 4 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.936 116.5 47.1 -62.2 -46.9 49.7 15.0 14.8 56 70 A A H X S+ 0 0 1 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.918 112.5 46.9 -66.7 -44.0 46.2 16.3 14.2 57 71 A L H X S+ 0 0 12 -4,-2.8 4,-2.7 -5,-0.2 5,-0.3 0.887 112.1 50.9 -71.1 -34.3 44.5 12.9 14.4 58 72 A D H X S+ 0 0 53 -4,-1.7 4,-2.4 -5,-0.3 5,-0.2 0.903 110.6 50.0 -64.8 -39.2 46.3 11.9 17.5 59 73 A L H X>S+ 0 0 1 -4,-2.1 5,-2.4 2,-0.2 4,-1.6 0.905 112.4 48.6 -64.6 -41.0 45.3 15.3 19.1 60 74 A L H <>S+ 0 0 0 -4,-2.4 5,-2.8 3,-0.2 -2,-0.2 0.969 118.7 35.7 -61.2 -55.7 41.7 14.6 18.1 61 75 A R H <5S+ 0 0 90 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.860 125.7 39.2 -74.0 -30.2 41.4 11.1 19.4 62 76 A G H <5S+ 0 0 27 -4,-2.4 -1,-0.2 -5,-0.3 -3,-0.2 0.646 134.9 1.7 -93.5 -16.5 43.6 11.6 22.5 63 77 A T T X5S+ 0 0 8 -4,-1.6 4,-1.4 -5,-0.2 -3,-0.2 0.606 123.0 44.9-135.6 -61.4 42.6 15.0 23.6 64 78 A F H >> S- 0 0 56 -72,-0.1 4,-1.4 1,-0.0 3,-0.4 -0.949 75.6 -83.2-166.0 171.4 26.9 26.9 20.8 76 90 A P H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.803 122.5 62.8 -63.9 -26.4 30.1 26.2 18.8 77 91 A E H > S+ 0 0 54 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.904 102.7 49.5 -63.8 -38.7 31.9 28.9 20.8 78 92 A A H > S+ 0 0 29 -3,-0.4 4,-1.4 2,-0.2 -1,-0.2 0.876 108.6 53.4 -67.6 -35.6 31.4 26.9 23.9 79 93 A V H < S+ 0 0 0 -4,-1.4 4,-0.4 1,-0.2 3,-0.4 0.960 111.4 45.3 -62.1 -50.2 32.7 23.8 22.1 80 94 A S H >< S+ 0 0 22 -4,-2.5 3,-1.9 1,-0.2 -2,-0.2 0.887 106.9 59.3 -56.0 -44.0 35.9 25.7 21.2 81 95 A D H >< S+ 0 0 135 -4,-2.3 3,-1.5 1,-0.3 -1,-0.2 0.832 94.9 64.3 -57.7 -35.3 36.2 27.1 24.7 82 96 A A T 3< S+ 0 0 43 -4,-1.4 -1,-0.3 -3,-0.4 3,-0.2 0.725 106.8 43.4 -62.9 -19.1 36.4 23.6 26.0 83 97 A L T X S+ 0 0 2 -3,-1.9 3,-1.3 -4,-0.4 -1,-0.3 0.313 80.0 110.4-106.4 8.3 39.7 23.1 24.1 84 98 A G T < + 0 0 48 -3,-1.5 -1,-0.1 1,-0.3 -2,-0.1 0.626 60.1 73.3 -65.7 -16.0 41.3 26.5 24.9 85 99 A S T 3 S+ 0 0 105 -3,-0.2 -1,-0.3 -4,-0.2 2,-0.1 0.871 83.2 82.7 -63.6 -34.9 44.1 25.2 27.2 86 100 A Y S < S- 0 0 60 -3,-1.3 2,-0.3 1,-0.1 685,-0.2 -0.408 76.6-125.8 -85.4 145.8 46.1 23.7 24.2 87 101 A R - 0 0 37 683,-2.9 686,-0.1 686,-0.4 -1,-0.1 -0.662 58.8 -28.0 -96.7 142.0 48.5 25.8 22.1 88 102 A G S S+ 0 0 19 -2,-0.3 5,-0.1 1,-0.1 -2,-0.0 -0.253 73.5 120.3 63.6-144.8 48.5 26.1 18.3 89 103 A N > + 0 0 11 1,-0.1 4,-2.4 3,-0.1 5,-0.2 0.884 33.6 165.0 52.8 46.0 47.1 23.3 16.2 90 104 A R H > + 0 0 78 1,-0.2 4,-2.3 2,-0.2 -1,-0.1 0.832 68.6 52.1 -66.2 -36.1 44.5 25.5 14.7 91 105 A M H > S+ 0 0 5 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.887 110.7 48.2 -71.7 -35.5 43.6 23.2 11.8 92 106 A A H > S+ 0 0 0 2,-0.2 4,-1.2 1,-0.2 3,-0.4 0.932 113.2 48.7 -63.9 -45.3 43.0 20.3 14.2 93 107 A R H X S+ 0 0 51 -4,-2.4 4,-2.6 1,-0.2 3,-0.3 0.891 106.6 58.0 -57.6 -41.7 40.9 22.6 16.4 94 108 A A H X S+ 0 0 0 -4,-2.3 4,-2.9 163,-0.3 5,-0.4 0.813 96.2 61.7 -62.4 -33.7 39.0 23.7 13.3 95 109 A M H X S+ 0 0 2 -4,-1.4 4,-1.6 -3,-0.4 -1,-0.2 0.941 112.3 37.8 -57.9 -46.5 37.9 20.2 12.5 96 110 A V H X S+ 0 0 0 -4,-1.2 4,-2.2 -3,-0.3 -2,-0.2 0.940 119.2 47.3 -66.2 -48.8 36.1 20.1 15.8 97 111 A E H X S+ 0 0 4 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.901 114.5 45.2 -64.7 -43.3 34.9 23.7 15.7 98 112 A M H X S+ 0 0 6 -4,-2.9 4,-2.0 2,-0.2 -1,-0.2 0.876 111.9 50.9 -72.5 -38.5 33.6 23.6 12.1 99 113 A A H X S+ 0 0 0 -4,-1.6 4,-2.6 -5,-0.4 -1,-0.2 0.887 109.1 53.9 -62.7 -36.7 31.9 20.3 12.6 100 114 A A H X S+ 0 0 0 -4,-2.2 4,-3.0 2,-0.2 5,-0.2 0.888 106.2 51.3 -64.5 -39.1 30.2 21.8 15.7 101 115 A W H X S+ 0 0 7 -4,-1.9 4,-2.7 2,-0.2 5,-0.2 0.920 111.5 47.6 -60.4 -44.4 28.9 24.7 13.6 102 116 A D H X S+ 0 0 2 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.931 114.9 45.8 -63.8 -43.9 27.5 22.3 11.0 103 117 A L H X S+ 0 0 0 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.948 114.2 47.5 -62.4 -51.7 25.9 20.2 13.8 104 118 A W H X S+ 0 0 41 -4,-3.0 4,-1.1 1,-0.2 3,-0.4 0.930 111.4 50.4 -56.1 -50.8 24.5 23.3 15.7 105 119 A A H >X>S+ 0 0 0 -4,-2.7 5,-2.1 1,-0.2 4,-1.0 0.900 109.6 52.0 -56.1 -41.2 23.1 24.8 12.5 106 120 A R H 3<5S+ 0 0 53 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.797 101.8 58.9 -70.8 -27.1 21.4 21.5 11.7 107 121 A T H 3<5S+ 0 0 48 -4,-1.7 -1,-0.2 -3,-0.4 -2,-0.2 0.791 115.1 38.1 -66.8 -26.8 19.7 21.4 15.2 108 122 A L H <<5S- 0 0 74 -4,-1.1 -2,-0.2 -3,-0.6 -1,-0.2 0.556 107.9-126.4 -95.2 -13.9 18.1 24.7 14.3 109 123 A G T <5 + 0 0 52 -4,-1.0 -3,-0.2 1,-0.2 -4,-0.1 0.766 65.3 132.3 69.9 29.7 17.5 23.9 10.6 110 124 A V < - 0 0 40 -5,-2.1 229,-2.6 -6,-0.1 -1,-0.2 -0.869 63.6-104.5-115.7 140.9 19.3 27.0 9.5 111 125 A P B > -g 339 0E 47 0, 0.0 4,-1.5 0, 0.0 229,-0.2 -0.321 30.1-125.6 -57.3 144.0 22.0 27.5 6.8 112 126 A L H > S+ 0 0 0 227,-2.6 4,-1.6 1,-0.2 3,-0.3 0.927 107.8 53.2 -60.4 -47.4 25.4 28.0 8.2 113 127 A G H >>S+ 0 0 2 226,-0.4 5,-2.3 1,-0.2 4,-0.7 0.907 105.2 57.4 -57.7 -39.0 26.2 31.2 6.4 114 128 A T H >45S+ 0 0 80 1,-0.2 3,-1.1 3,-0.2 -1,-0.2 0.908 105.5 48.8 -55.6 -47.3 22.9 32.7 7.8 115 129 A L H 3<5S+ 0 0 52 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.784 108.6 54.1 -66.0 -28.3 24.0 32.0 11.4 116 130 A L H 3<5S- 0 0 3 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.542 125.3-103.1 -82.6 -8.3 27.4 33.6 10.7 117 131 A G T <<5S+ 0 0 54 -3,-1.1 -3,-0.2 -4,-0.7 184,-0.2 0.399 75.3 135.7 103.6 2.1 25.6 36.8 9.4 118 132 A G < + 0 0 7 -5,-2.3 -1,-0.3 -6,-0.2 182,-0.2 -0.454 27.0 177.7 -76.7 152.8 26.0 36.4 5.7 119 133 A H + 0 0 170 180,-1.0 2,-0.2 -2,-0.1 181,-0.1 0.154 37.6 121.5-142.9 23.5 23.1 37.0 3.3 120 134 A K - 0 0 88 179,-0.6 3,-0.1 176,-0.1 179,-0.1 -0.626 45.7-158.7 -77.0 145.9 24.6 36.4 -0.2 121 135 A E S S+ 0 0 170 -2,-0.2 213,-2.4 1,-0.2 2,-0.3 0.563 79.7 21.1 -98.5 -15.1 23.0 33.7 -2.4 122 136 A Q E S-H 333 0F 87 211,-0.3 2,-0.4 177,-0.1 -1,-0.2 -0.976 71.9-143.8-148.6 156.3 26.1 33.3 -4.6 123 137 A V E -H 332 0F 7 209,-2.3 209,-2.9 -2,-0.3 2,-0.2 -0.958 22.5-111.4-128.3 144.0 29.8 34.1 -4.1 124 138 A E E -H 331 0F 83 -2,-0.4 183,-2.5 207,-0.2 2,-0.4 -0.508 33.4-157.6 -77.2 140.6 32.4 35.4 -6.6 125 139 A V B -j 307 0G 0 205,-2.6 26,-2.3 181,-0.3 27,-0.3 -0.895 8.0-164.0-123.2 144.7 35.2 33.0 -7.6 126 140 A G - 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0 0 34 -5,-1.7 -1,-0.2 1,-0.1 -24,-0.2 -0.308 31.5-146.5 -60.3 145.4 36.2 34.2 -13.6 151 165 A R S S+ 0 0 77 -26,-2.3 2,-0.3 179,-0.2 -25,-0.2 0.380 78.0 28.1-101.1 1.8 36.2 37.4 -11.6 152 166 A R - 0 0 2 -27,-0.3 -25,-2.2 153,-0.1 2,-0.5 -0.929 65.2-149.4-158.4 141.3 39.9 37.4 -10.6 153 167 A I E -kl 127 178H 3 24,-2.5 26,-2.4 -2,-0.3 2,-0.5 -0.962 11.3-166.0-112.8 127.9 43.0 35.9 -12.2 154 168 A K E -kl 128 179H 18 -27,-2.0 -25,-3.2 -2,-0.5 2,-0.5 -0.973 3.7-163.0-113.1 124.8 45.9 34.8 -9.9 155 169 A L E -kl 129 180H 5 24,-2.3 26,-2.2 -2,-0.5 2,-0.3 -0.925 17.0-133.1-104.2 128.3 49.3 34.1 -11.5 156 170 A K E - l 0 181H 86 -27,-2.4 2,-0.3 -2,-0.5 -24,-0.2 -0.607 33.7-177.7 -68.4 135.4 51.9 32.1 -9.7 157 171 A I + 0 0 1 24,-2.2 5,-0.2 -2,-0.3 28,-0.1 -0.881 11.9 178.7-130.4 166.0 55.3 33.9 -9.9 158 172 A K B > -R 161 0I 103 3,-2.0 3,-2.8 -2,-0.3 25,-0.1 -0.965 49.1 -61.3-157.5 162.6 58.8 33.2 -8.7 159 173 A P T 3 S+ 0 0 63 0, 0.0 27,-0.0 0, 0.0 31,-0.0 -0.270 127.4 21.7 -49.9 131.2 62.2 34.8 -9.0 160 174 A G T 3 S+ 0 0 57 -3,-0.0 2,-0.2 0, 0.0 4,-0.0 0.270 122.9 60.9 91.0 -9.7 63.1 35.1 -12.7 161 175 A W B < S+R 158 0I 40 -3,-2.8 -3,-2.0 3,-0.1 -27,-0.0 -0.642 76.7 82.4-152.4 81.6 59.5 34.8 -13.8 162 176 A D S > S+ 0 0 1 -5,-0.2 4,-1.8 -2,-0.2 5,-0.2 0.368 85.3 41.7-149.3 -69.2 57.3 37.6 -12.5 163 177 A V H > S+ 0 0 6 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.884 112.8 58.9 -61.3 -37.4 57.3 40.9 -14.4 164 178 A Q H > S+ 0 0 39 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.954 109.3 37.9 -62.5 -56.2 57.2 39.0 -17.7 165 179 A P H > S+ 0 0 2 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.884 119.7 50.0 -65.0 -34.2 54.0 37.0 -17.2 166 180 A V H X S+ 0 0 0 -4,-1.8 4,-2.9 2,-0.2 5,-0.2 0.943 111.7 47.0 -67.8 -45.9 52.3 40.0 -15.5 167 181 A R H X S+ 0 0 72 -4,-3.2 4,-2.4 -5,-0.2 5,-0.2 0.941 113.7 47.8 -59.2 -49.5 53.3 42.5 -18.2 168 182 A A H X S+ 0 0 10 -4,-2.4 4,-1.6 -5,-0.3 -1,-0.2 0.908 114.5 46.8 -60.6 -41.4 52.2 40.2 -21.0 169 183 A T H X S+ 0 0 0 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.928 112.7 47.5 -67.4 -45.9 48.9 39.5 -19.2 170 184 A R H < S+ 0 0 27 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.857 108.9 55.1 -67.1 -34.5 48.2 43.2 -18.4 171 185 A E H < S+ 0 0 136 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.909 114.7 40.0 -61.7 -41.0 49.0 44.2 -22.0 172 186 A A H < S+ 0 0 35 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.791 128.7 31.6 -76.9 -28.2 46.4 41.7 -23.3 173 187 A F >< + 0 0 20 -4,-2.1 3,-0.7 -5,-0.1 -1,-0.2 -0.728 65.6 174.1-133.9 78.7 43.9 42.5 -20.5 174 188 A P T 3 S+ 0 0 84 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.711 79.5 34.5 -60.9 -22.7 44.1 46.1 -19.4 175 189 A D T 3 S+ 0 0 156 2,-0.1 -5,-0.1 0, 0.0 -2,-0.0 0.405 85.4 113.9-119.3 -3.4 41.1 46.0 -17.1 176 190 A I S < S- 0 0 36 -3,-0.7 2,-0.8 -6,-0.1 -24,-0.1 -0.312 75.5-104.1 -69.6 157.1 40.9 42.6 -15.4 177 191 A R - 0 0 87 -26,-0.1 -24,-2.5 25,-0.1 2,-0.4 -0.749 50.5-176.5 -79.3 111.1 41.4 42.0 -11.7 178 192 A L E +l 153 0H 0 -2,-0.8 25,-2.7 23,-0.4 26,-0.5 -0.945 10.5 166.4-121.6 134.5 44.9 40.5 -11.7 179 193 A T E -l 154 0H 0 -26,-2.4 -24,-2.3 -2,-0.4 2,-0.3 -0.895 19.8-141.0-138.2 164.7 46.8 39.2 -8.7 180 194 A V E -lm 155 205H 0 24,-1.8 26,-2.6 -2,-0.3 2,-0.6 -0.968 7.9-143.0-131.9 150.5 50.0 37.2 -8.1 181 195 A D E -lm 156 206H 35 -26,-2.2 -24,-2.2 -2,-0.3 26,-0.1 -0.957 14.2-175.5-109.6 109.8 51.0 34.5 -5.6 182 196 A A > - 0 0 0 24,-1.8 3,-2.0 -2,-0.6 25,-0.1 0.491 24.0-146.6 -90.0 -7.4 54.6 35.0 -4.7 183 197 A N T 3 - 0 0 67 23,-0.4 24,-0.1 1,-0.3 28,-0.1 0.746 54.9 -71.0 56.0 36.4 54.8 31.9 -2.6 184 198 A S T 3 S+ 0 0 27 23,-2.4 -1,-0.3 22,-0.4 27,-0.2 0.778 102.0 127.7 52.1 32.1 57.2 33.1 0.0 185 199 A A < + 0 0 42 -3,-2.0 2,-0.2 22,-0.2 24,-0.2 0.448 49.1 76.1 -99.3 -0.6 59.9 32.9 -2.7 186 200 A Y - 0 0 9 22,-2.5 2,-0.3 -4,-0.1 24,-0.1 -0.583 56.8-154.2-113.2 168.1 61.3 36.5 -2.4 187 201 A T > - 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0 0 1 -15,-3.0 250,-0.1 -2,-0.4 52,-0.1 -0.519 10.2-162.3 -71.1 140.9 63.0 15.6 22.3 765 55 C T + 0 0 15 -2,-0.2 2,-0.2 50,-0.1 -1,-0.1 0.284 54.8 110.5-108.6 9.5 61.3 18.4 24.3 766 56 C M - 0 0 4 49,-0.1 2,-0.2 10,-0.1 10,-0.2 -0.544 59.8-138.5 -79.0 154.1 57.9 18.1 22.8 767 57 C E B -r 776 0X 56 8,-0.7 10,-1.8 2,-0.2 11,-0.2 -0.516 25.7-102.9-106.2 171.1 55.1 16.7 25.1 768 58 C A S S+ 0 0 45 8,-0.2 10,-0.3 -2,-0.2 -1,-0.1 0.875 112.1 29.8 -62.5 -36.2 52.3 14.2 24.4 769 59 C R S S- 0 0 97 7,-0.1 2,-1.7 8,-0.1 3,-0.4 -0.901 97.6-102.9-123.7 153.0 49.9 17.2 24.2 770 60 C P S S+ 0 0 0 0, 0.0 -683,-2.9 0, 0.0 6,-0.1 -0.519 70.2 129.3 -82.8 82.7 50.6 20.8 23.1 771 61 C M S S+ 0 0 99 -2,-1.7 3,-0.1 -685,-0.2 -3,-0.0 0.870 77.2 28.0-101.9 -53.3 50.8 22.5 26.5 772 62 C Y S S- 0 0 27 -3,-0.4 2,-0.2 1,-0.1 -6,-0.1 0.870 138.0 -20.7 -77.2 -43.6 54.1 24.5 26.5 773 63 C R S S- 0 0 34 2,-0.3 -686,-0.4 -4,-0.2 -1,-0.1 -0.762 81.7 -76.1-150.7-159.3 54.1 24.9 22.7 774 64 C E S S+ 0 0 22 -2,-0.2 2,-0.1 -4,-0.1 -8,-0.0 0.653 87.6 90.5 -91.9 -19.2 52.6 23.4 19.5 775 65 C E - 0 0 11 -6,-0.1 -8,-0.7 4,-0.1 2,-0.3 -0.413 52.7-162.5 -81.5 156.5 54.5 20.2 18.8 776 66 C T B > -r 767 0X 6 -10,-0.2 4,-2.9 -6,-0.1 -8,-0.2 -0.931 31.1-115.1-132.5 159.0 53.5 16.8 20.1 777 67 C I H > S+ 0 0 20 -10,-1.8 4,-2.8 -2,-0.3 5,-0.3 0.921 115.7 51.6 -59.2 -44.5 55.3 13.5 20.4 778 68 C A H > S+ 0 0 30 -10,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.932 113.9 43.4 -62.1 -44.7 53.0 11.8 17.9 779 69 C G H > S+ 0 0 5 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.934 116.5 47.0 -63.9 -46.1 53.6 14.5 15.3 780 70 C A H X S+ 0 0 1 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.909 112.2 47.2 -64.4 -46.7 57.3 14.7 15.9 781 71 C L H X S+ 0 0 11 -4,-2.8 4,-2.7 -5,-0.2 5,-0.3 0.886 111.5 51.9 -68.2 -33.4 58.0 11.0 15.8 782 72 C D H X S+ 0 0 52 -4,-1.7 4,-2.3 -5,-0.3 5,-0.2 0.895 109.6 50.3 -65.5 -40.3 56.0 10.6 12.6 783 73 C L H X>S+ 0 0 2 -4,-2.0 5,-2.3 2,-0.2 4,-1.6 0.905 112.2 49.1 -63.2 -41.7 58.0 13.4 11.0 784 74 C L H <>S+ 0 0 0 -4,-2.4 5,-2.8 3,-0.2 -2,-0.2 0.969 117.7 36.6 -60.0 -55.7 61.2 11.7 12.1 785 75 C R H <5S+ 0 0 87 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.863 125.8 37.9 -73.9 -29.4 60.4 8.2 10.8 786 76 C G H <5S+ 0 0 28 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.642 135.3 4.1 -95.6 -16.1 58.5 9.3 7.7 787 77 C T T X5S+ 0 0 16 -4,-1.6 4,-1.4 -5,-0.2 -3,-0.2 0.617 123.6 42.4-133.7 -61.8 60.6 12.3 6.6 788 78 C F H >> S- 0 0 56 -72,-0.1 4,-1.3 1,-0.1 3,-0.4 -0.960 75.5 -83.3-165.7 172.6 79.0 18.9 9.5 800 90 C P H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.838 122.3 62.2 -63.2 -29.2 75.8 19.2 11.5 801 91 C E H > S+ 0 0 60 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.887 102.2 51.0 -61.9 -38.2 74.9 22.2 9.3 802 92 C A H > S+ 0 0 29 -3,-0.4 4,-1.5 2,-0.2 -1,-0.2 0.857 107.7 53.2 -66.9 -34.7 74.9 20.0 6.3 803 93 C V H X S+ 0 0 0 -4,-1.3 4,-0.6 2,-0.2 3,-0.4 0.958 110.1 47.3 -63.1 -49.6 72.6 17.5 8.1 804 94 C S H >< S+ 0 0 37 -4,-2.5 3,-1.3 1,-0.2 4,-0.3 0.904 109.2 54.5 -55.3 -43.8 70.1 20.3 8.9 805 95 C D H >< S+ 0 0 139 -4,-2.3 3,-1.1 1,-0.3 -1,-0.2 0.841 102.4 58.5 -60.4 -34.4 70.3 21.5 5.2 806 96 C A H 3< S+ 0 0 39 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.603 88.1 74.0 -74.3 -13.7 69.3 18.0 4.1 807 97 C L T << S- 0 0 4 -3,-1.3 3,-0.4 -4,-0.6 -1,-0.2 0.647 95.1-144.4 -77.0 -14.8 66.0 17.9 6.0 808 98 C G < - 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0 0 5 -15,-3.0 52,-0.1 -2,-0.4 250,-0.1 -0.530 9.9-162.2 -71.4 141.2 42.6 -4.8 -56.0 1127 55 D T + 0 0 18 -2,-0.2 2,-0.2 50,-0.1 -1,-0.1 0.262 54.6 110.9-108.1 9.7 39.8 -3.1 -58.1 1128 56 D M - 0 0 8 49,-0.1 2,-0.2 10,-0.1 10,-0.2 -0.553 59.5-138.5 -78.8 154.6 40.1 0.3 -56.5 1129 57 D E B -k 1138 0h 66 8,-0.7 10,-1.8 2,-0.2 11,-0.2 -0.513 25.5-103.3-107.0 171.5 41.5 3.1 -58.8 1130 58 D A S S+ 0 0 43 8,-0.2 10,-0.3 -2,-0.2 -1,-0.1 0.879 111.9 29.3 -63.2 -36.6 44.0 5.9 -58.1 1131 59 D R S S- 0 0 102 7,-0.1 2,-1.7 8,-0.1 3,-0.3 -0.891 97.8-102.4-123.0 153.5 41.0 8.3 -58.0 1132 60 D P S S+ 0 0 0 0, 0.0 -683,-2.9 0, 0.0 6,-0.1 -0.524 70.0 129.6 -83.6 84.0 37.4 7.6 -56.8 1133 61 D M S S+ 0 0 79 -2,-1.7 3,-0.1 -685,-0.2 -3,-0.0 0.873 77.1 28.1-102.0 -54.2 35.6 7.3 -60.2 1134 62 D Y S S- 0 0 28 -3,-0.3 2,-0.2 3,-0.1 -6,-0.1 0.862 138.0 -21.5 -76.3 -42.3 33.7 4.1 -60.2 1135 63 D R S S- 0 0 36 2,-0.3 -686,-0.4 -4,-0.2 -1,-0.1 -0.766 81.7 -75.2-152.4-159.9 33.3 4.1 -56.4 1136 64 D E S S+ 0 0 22 -2,-0.2 2,-0.1 -4,-0.1 -8,-0.0 0.646 87.6 90.6 -91.3 -19.0 34.8 5.6 -53.3 1137 65 D E - 0 0 12 -6,-0.1 -8,-0.7 4,-0.1 2,-0.3 -0.414 52.5-163.0 -82.0 154.7 38.0 3.7 -52.5 1138 66 D T B > -k 1129 0h 5 -10,-0.2 4,-2.8 -6,-0.1 -8,-0.2 -0.934 31.3-115.0-131.2 159.8 41.4 4.7 -53.8 1139 67 D I H > S+ 0 0 21 -10,-1.8 4,-2.9 -2,-0.3 5,-0.3 0.923 115.6 51.7 -59.8 -43.4 44.7 2.9 -54.1 1140 68 D A H > S+ 0 0 32 -10,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.926 114.0 43.2 -62.8 -43.3 46.4 5.2 -51.6 1141 69 D G H > S+ 0 0 5 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.935 116.4 47.0 -65.6 -46.3 43.7 4.6 -49.0 1142 70 D A H X S+ 0 0 1 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.911 112.2 47.3 -63.8 -46.7 43.5 0.9 -49.6 1143 71 D L H X S+ 0 0 11 -4,-2.9 4,-2.7 -5,-0.2 5,-0.3 0.884 111.6 51.7 -69.0 -32.7 47.2 0.1 -49.5 1144 72 D D H X S+ 0 0 51 -4,-1.6 4,-2.3 -5,-0.3 5,-0.3 0.895 109.5 50.5 -66.4 -39.8 47.6 2.2 -46.4 1145 73 D L H X>S+ 0 0 2 -4,-2.0 5,-2.3 2,-0.2 4,-1.7 0.912 112.2 49.1 -63.1 -41.5 44.8 0.2 -44.8 1146 74 D L H <>S+ 0 0 0 -4,-2.4 5,-2.9 3,-0.2 -2,-0.2 0.966 117.7 36.3 -60.8 -55.4 46.5 -3.0 -45.8 1147 75 D R H <5S+ 0 0 89 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.869 125.7 38.8 -73.3 -30.2 49.9 -2.2 -44.5 1148 76 D G H <5S+ 0 0 28 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.660 135.4 2.6 -93.4 -18.5 48.9 -0.3 -41.4 1149 77 D T T X5S+ 0 0 13 -4,-1.7 4,-1.4 -5,-0.3 -3,-0.2 0.631 123.6 43.5-133.9 -61.0 45.9 -2.4 -40.3 1150 78 D F H >> S- 0 0 57 -72,-0.1 4,-1.3 1,-0.1 3,-0.4 -0.950 75.6 -83.5-165.4 172.4 39.3 -20.9 -43.3 1162 90 D P H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.842 122.5 62.4 -62.9 -29.3 38.9 -17.6 -45.2 1163 91 D E H > S+ 0 0 57 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.888 102.2 50.8 -61.1 -38.6 35.9 -16.7 -43.0 1164 92 D A H > S+ 0 0 30 -3,-0.4 4,-1.5 2,-0.2 -1,-0.2 0.856 107.8 53.2 -67.9 -34.0 38.2 -16.7 -40.0 1165 93 D V H X S+ 0 0 0 -4,-1.3 4,-0.6 2,-0.2 3,-0.4 0.960 110.2 47.3 -63.4 -49.7 40.7 -14.4 -41.9 1166 94 D S H >< S+ 0 0 36 -4,-2.5 3,-1.2 1,-0.2 4,-0.4 0.900 109.0 54.5 -55.0 -43.1 37.9 -11.9 -42.6 1167 95 D D H >< S+ 0 0 137 -4,-2.2 3,-1.0 1,-0.3 -1,-0.2 0.843 102.7 58.6 -63.1 -32.2 36.7 -12.1 -39.0 1168 96 D A H 3< S+ 0 0 37 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.606 87.7 74.2 -75.2 -13.3 40.2 -11.2 -37.8 1169 97 D L T << S- 0 0 5 -3,-1.2 3,-0.3 -4,-0.6 -1,-0.2 0.710 96.1-140.4 -75.6 -18.3 40.3 -7.9 -39.8 1170 98 D G < - 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0 0 40 -5,-2.1 229,-2.5 -6,-0.2 -1,-0.2 -0.849 64.2-104.6-114.8 140.7 41.1 -27.9 -54.8 1197 125 D P B > -l 1425 0i 48 0, 0.0 4,-1.3 0, 0.0 229,-0.2 -0.331 31.0-125.1 -57.6 144.3 39.8 -25.4 -57.5 1198 126 D L H >> S+ 0 0 0 227,-2.5 4,-1.3 1,-0.2 3,-0.5 0.927 107.4 53.3 -60.2 -49.8 38.4 -22.3 -55.9 1199 127 D G H 3>>S+ 0 0 2 226,-0.4 5,-2.3 1,-0.2 4,-0.6 0.874 103.5 59.2 -56.2 -37.9 35.0 -22.4 -57.5 1200 128 D T H >45S+ 0 0 81 1,-0.2 3,-1.1 2,-0.2 -1,-0.2 0.912 104.8 48.8 -55.5 -46.1 34.5 -26.0 -56.2 1201 129 D L H <<5S+ 0 0 50 -4,-1.3 -1,-0.2 -3,-0.5 -2,-0.2 0.735 107.9 54.7 -67.6 -25.0 34.9 -24.8 -52.6 1202 130 D L H 3<5S- 0 0 3 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.529 124.9-102.8 -84.8 -8.7 32.4 -22.0 -53.2 1203 131 D G T <<5S+ 0 0 53 -3,-1.1 -3,-0.2 -4,-0.6 184,-0.2 0.402 75.2 136.1 104.7 2.1 29.9 -24.6 -54.4 1204 132 D G < + 0 0 8 -5,-2.3 -1,-0.3 -6,-0.2 182,-0.2 -0.464 27.0 178.0 -80.4 151.8 30.0 -24.1 -58.1 1205 133 D H + 0 0 167 180,-1.0 2,-0.3 -2,-0.1 181,-0.1 0.148 38.2 119.3-142.7 26.3 30.1 -27.0 -60.6 1206 134 D K - 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