==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 18-OCT-04 1XS2 . 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) . 52984.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 984 68.3 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 . 164 11.4 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 . 83 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 153 10.6 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 1 10 7 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 . 15 4 4 0 0 6 2 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 0 283 0, 0.0 106,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0-179.9 18.1 24.7 23.0 2 7 A M - 0 0 111 1,-0.1 2,-0.4 70,-0.0 72,-0.2 -0.250 360.0-130.7 -79.1 162.6 21.5 23.1 23.7 3 8 A F E -A 73 0A 0 70,-2.7 70,-3.3 -2,-0.0 2,-0.4 -0.942 7.0-151.9-122.7 137.8 23.2 20.2 21.9 4 9 A K E -A 72 0A 91 -2,-0.4 2,-0.8 68,-0.3 28,-0.3 -0.858 13.9-140.8-101.7 135.7 24.9 17.1 23.3 5 10 A I + 0 0 0 66,-2.1 65,-3.3 63,-0.4 66,-0.3 -0.874 27.8 169.1-100.7 108.4 27.7 15.5 21.3 6 11 A E + 0 0 97 24,-1.7 355,-0.5 -2,-0.8 2,-0.3 0.790 58.7 9.8 -90.7 -33.1 27.2 11.8 21.6 7 12 A A E -B 30 0B 3 23,-1.3 23,-3.1 353,-0.1 2,-0.3 -0.998 52.4-160.6-151.2 154.6 29.6 10.5 19.0 8 13 A A E -BC 29 359B 0 351,-2.2 351,-2.9 -2,-0.3 2,-0.4 -0.977 7.1-161.3-132.5 147.9 32.4 11.3 16.7 9 14 A E E -BC 28 358B 17 19,-2.1 19,-2.5 -2,-0.3 2,-0.6 -0.996 5.3-158.1-128.2 133.5 33.8 9.6 13.6 10 15 A I E +BC 27 357B 1 347,-1.9 347,-1.5 -2,-0.4 2,-0.5 -0.965 16.5 178.4-106.4 119.9 37.2 10.1 12.0 11 16 A V E -BC 26 356B 2 15,-1.8 15,-3.4 -2,-0.6 2,-0.5 -0.993 10.5-164.5-121.8 123.9 37.2 9.0 8.3 12 17 A V E -BC 25 355B 19 343,-3.0 342,-1.8 -2,-0.5 343,-1.7 -0.963 14.4-173.1-108.7 122.4 40.3 9.4 6.3 13 18 A A E -BC 24 353B 0 11,-2.5 11,-3.0 -2,-0.5 2,-0.6 -0.776 26.1-143.1-114.1 156.0 39.8 9.0 2.5 14 19 A R E -B 23 0B 108 338,-2.4 9,-0.2 -2,-0.3 -2,-0.0 -0.943 28.6-167.5-115.2 101.3 42.1 8.9 -0.5 15 20 A L E -B 22 0B 0 7,-3.0 7,-2.6 -2,-0.6 2,-0.1 -0.819 20.7-117.9 -99.6 127.4 40.2 10.8 -3.1 16 21 A P E -B 21 0B 34 0, 0.0 301,-0.6 0, 0.0 302,-0.4 -0.408 23.7-136.0 -66.3 132.2 41.4 10.6 -6.7 17 22 A L B E 316 0C 56 3,-1.9 299,-0.2 299,-0.2 298,-0.1 -0.454 360.0 360.0 -76.7 158.7 42.5 13.8 -8.4 18 23 A K 0 0 149 297,-1.9 -1,-0.1 -2,-0.1 296,-0.0 -0.617 360.0 360.0 -77.7 360.0 41.5 14.7 -11.9 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 0 144 0, 0.0 -3,-1.9 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0-101.1 47.4 11.8 -8.2 21 35 A H E -B 16 0B 74 -5,-0.2 2,-0.4 2,-0.0 -7,-0.0 -0.974 360.0-148.8-133.9 155.8 45.5 11.2 -5.0 22 36 A K E -B 15 0B 38 -7,-2.6 -7,-3.0 -2,-0.3 2,-0.6 -0.994 14.6-132.9-125.8 135.5 44.6 13.4 -2.0 23 37 A V E -B 14 0B 50 -2,-0.4 -9,-0.2 -9,-0.2 21,-0.1 -0.761 24.1-169.3 -81.5 117.5 44.2 12.3 1.6 24 38 A V E -B 13 0B 0 -11,-3.0 -11,-2.5 -2,-0.6 2,-0.5 -0.900 4.6-162.3-115.7 103.4 41.0 13.8 3.0 25 39 A P E -B 12 0B 0 0, 0.0 15,-3.1 0, 0.0 2,-0.4 -0.725 13.5-168.7 -85.0 127.6 40.5 13.5 6.8 26 40 A L E -BD 11 39B 0 -15,-3.4 -15,-1.8 -2,-0.5 2,-0.4 -0.882 14.2-155.3-115.8 146.9 36.9 14.1 7.9 27 41 A L E -BD 10 38B 0 11,-2.4 11,-2.2 -2,-0.4 2,-0.5 -0.980 8.0-167.3-118.2 132.8 35.3 14.6 11.3 28 42 A I E -BD 9 37B 0 -19,-2.5 -19,-2.1 -2,-0.4 2,-0.5 -0.967 3.2-163.8-120.7 116.6 31.7 13.7 11.9 29 43 A L E -BD 8 36B 0 7,-3.2 7,-2.7 -2,-0.5 2,-0.4 -0.870 8.5-157.4-102.6 132.5 30.1 14.9 15.0 30 44 A H E +BD 7 35B 44 -23,-3.1 -24,-1.7 -2,-0.5 -23,-1.3 -0.881 27.8 128.6-112.6 134.9 26.7 13.3 16.0 31 45 A G E > + D 0 34B 1 3,-2.4 3,-2.6 -2,-0.4 -26,-0.1 -0.900 59.1 16.0-177.2 154.2 24.1 14.7 18.2 32 46 A E T 3 S- 0 0 103 1,-0.3 3,-0.1 -2,-0.3 -27,-0.1 0.790 124.9 -60.6 51.0 34.0 20.4 15.5 18.6 33 47 A G T 3 S+ 0 0 86 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.549 123.0 85.0 69.9 6.9 19.6 13.2 15.6 34 48 A V E < -D 31 0B 43 -3,-2.6 -3,-2.4 2,-0.0 2,-0.3 -0.719 64.8-139.0-123.1-178.3 21.7 15.3 13.2 35 49 A Q E -D 30 0B 62 -2,-0.2 2,-0.4 -5,-0.2 -5,-0.2 -0.985 1.3-149.6-144.5 153.8 25.4 15.4 12.3 36 50 A G E -D 29 0B 0 -7,-2.7 -7,-3.2 -2,-0.3 2,-0.4 -0.970 17.2-164.1-123.5 139.3 28.0 17.9 11.6 37 51 A V E +D 28 0B 7 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.979 11.2 169.6-131.6 138.3 30.9 17.3 9.2 38 52 A A E -D 27 0B 0 -11,-2.2 -11,-2.4 -2,-0.4 2,-0.4 -0.941 23.2-129.3-142.8 167.2 34.3 19.0 8.6 39 53 A E E -D 26 0B 7 -2,-0.3 -13,-0.2 -13,-0.2 2,-0.2 -0.940 16.2-131.3-123.6 130.6 37.5 18.4 6.7 40 54 A G - 0 0 1 -15,-3.1 250,-0.1 -2,-0.4 52,-0.1 -0.572 12.0-167.6 -74.9 140.7 41.1 18.7 7.9 41 55 A T + 0 0 11 -2,-0.2 -1,-0.1 -17,-0.1 2,-0.1 0.394 52.5 110.1-107.2 -0.2 43.4 20.7 5.7 42 56 A M - 0 0 7 10,-0.1 2,-0.2 -17,-0.1 10,-0.2 -0.425 59.6-140.6 -68.3 152.3 46.7 19.6 7.3 43 57 A E B -f 52 0D 71 8,-0.7 10,-1.6 2,-0.3 11,-0.2 -0.566 25.6 -96.9-111.5 175.3 48.9 17.3 5.1 44 58 A A S S+ 0 0 51 8,-0.2 10,-0.3 -2,-0.2 -1,-0.1 0.908 113.0 27.4 -55.7 -46.0 51.0 14.2 5.7 45 59 A R S S- 0 0 97 7,-0.1 2,-1.6 8,-0.1 3,-0.3 -0.833 96.3-103.2-116.7 156.1 54.2 16.4 5.9 46 60 A P + 0 0 0 0, 0.0 765,-2.9 0, 0.0 6,-0.1 -0.550 69.2 128.9 -84.3 82.1 54.4 20.0 7.0 47 61 A M S S+ 0 0 104 -2,-1.6 3,-0.1 763,-0.2 -3,-0.0 0.867 76.7 30.4-103.3 -47.3 54.7 21.9 3.7 48 62 A Y S S- 0 0 32 -3,-0.3 2,-0.2 1,-0.1 -6,-0.1 0.884 137.1 -18.2 -80.7 -47.5 52.1 24.7 3.8 49 63 A R S S- 0 0 40 2,-0.3 762,-0.4 762,-0.1 -1,-0.1 -0.749 82.6 -79.4-142.5-156.8 52.2 25.1 7.5 50 64 A E S S+ 0 0 23 -2,-0.2 2,-0.1 -3,-0.1 -8,-0.0 0.623 88.0 91.1 -90.6 -16.0 53.3 23.2 10.6 51 65 A E - 0 0 16 -6,-0.1 -8,-0.7 4,-0.0 2,-0.3 -0.446 52.8-160.1 -91.1 150.6 50.6 20.6 11.3 52 66 A T B > -f 43 0D 5 -10,-0.2 4,-2.7 -2,-0.1 -8,-0.2 -0.898 30.8-114.3-124.4 159.0 50.5 17.1 10.1 53 67 A I H > S+ 0 0 26 -10,-1.6 4,-2.7 -2,-0.3 5,-0.3 0.888 116.6 50.7 -52.9 -42.5 47.7 14.5 9.7 54 68 A A H > S+ 0 0 35 -10,-0.3 4,-1.7 -11,-0.2 -1,-0.2 0.914 114.1 42.0 -70.2 -41.0 49.4 12.2 12.3 55 69 A G H > S+ 0 0 4 2,-0.2 4,-1.7 1,-0.1 -1,-0.2 0.905 116.9 49.3 -67.2 -41.1 49.7 15.0 14.9 56 70 A A H X S+ 0 0 0 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.945 113.0 44.5 -65.3 -49.1 46.3 16.4 14.2 57 71 A L H X S+ 0 0 10 -4,-2.7 4,-2.6 1,-0.2 5,-0.3 0.872 112.6 50.9 -66.8 -40.3 44.4 13.0 14.4 58 72 A D H X S+ 0 0 55 -4,-1.7 4,-1.9 -5,-0.3 -1,-0.2 0.847 110.3 51.9 -63.8 -33.3 46.3 11.9 17.6 59 73 A L H X>S+ 0 0 1 -4,-1.7 5,-2.2 -5,-0.2 4,-1.5 0.892 111.4 47.4 -70.3 -35.7 45.3 15.3 19.1 60 74 A L H <>S+ 0 0 0 -4,-1.8 5,-3.1 3,-0.2 -2,-0.2 0.959 119.5 35.4 -68.7 -53.2 41.6 14.7 18.1 61 75 A R H <5S+ 0 0 88 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.805 125.4 40.5 -76.9 -30.5 41.3 11.2 19.4 62 76 A G H <5S+ 0 0 28 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.697 135.4 1.5 -89.3 -19.1 43.5 11.6 22.4 63 77 A T T X5S+ 0 0 11 -4,-1.5 4,-1.1 -5,-0.2 -3,-0.2 0.643 123.5 44.7-135.2 -55.3 42.5 15.1 23.6 64 78 A F H >> S- 0 0 56 -72,-0.1 4,-1.1 1,-0.1 3,-0.5 -0.967 73.8 -86.5-161.5 173.5 26.9 27.0 20.9 76 90 A P H > S+ 0 0 0 0, 0.0 4,-1.9 0, 0.0 3,-0.2 0.813 122.1 60.9 -57.9 -31.4 29.9 26.3 18.8 77 91 A E H > S+ 0 0 56 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.881 100.8 52.5 -66.4 -39.5 31.8 28.9 20.8 78 92 A A H > S+ 0 0 30 -3,-0.5 4,-1.1 2,-0.2 -1,-0.2 0.795 105.7 56.1 -61.7 -32.4 31.4 26.9 24.0 79 93 A V H >< S+ 0 0 0 -4,-1.1 3,-0.6 -3,-0.2 4,-0.4 0.955 108.4 46.5 -65.2 -49.9 32.7 23.9 22.2 80 94 A S H >< S+ 0 0 24 -4,-1.9 3,-1.8 1,-0.2 -2,-0.2 0.898 108.4 55.3 -54.7 -45.8 35.9 25.7 21.3 81 95 A D H >< S+ 0 0 128 -4,-2.1 3,-0.9 1,-0.3 -1,-0.2 0.796 99.9 62.1 -63.8 -26.6 36.3 27.0 24.8 82 96 A A T << S+ 0 0 40 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.553 101.0 50.3 -76.8 -9.1 36.2 23.5 26.1 83 97 A L T X S+ 0 0 5 -3,-1.8 3,-1.0 -4,-0.4 -1,-0.3 -0.063 91.0 139.2-101.1 28.1 39.4 22.5 24.2 84 98 A G T < + 0 0 39 -3,-0.9 -1,-0.2 1,-0.2 -2,-0.1 0.715 41.6 47.5 -64.1 -50.1 40.7 25.5 25.8 85 99 A S T 3 S+ 0 0 101 -3,-0.1 -1,-0.2 -4,-0.1 2,-0.2 0.312 80.8 108.2 -85.9 11.1 44.2 25.5 27.1 86 100 A Y < - 0 0 59 -3,-1.0 2,-0.4 2,-0.1 685,-0.2 -0.544 62.0-122.8 -97.5 155.5 46.1 24.0 24.2 87 101 A R - 0 0 40 683,-2.2 686,-0.1 686,-0.4 685,-0.1 -0.755 58.9 -32.0-106.8 140.7 48.6 25.8 22.0 88 102 A G S S+ 0 0 15 -2,-0.4 5,-0.1 1,-0.1 -2,-0.1 -0.272 75.3 120.2 57.5-142.0 48.6 26.2 18.3 89 103 A N > + 0 0 11 1,-0.1 4,-2.2 3,-0.1 5,-0.2 0.877 33.5 162.0 51.4 45.7 47.2 23.3 16.3 90 104 A R H > + 0 0 78 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.882 66.2 53.5 -67.7 -36.8 44.6 25.6 14.8 91 105 A M H > S+ 0 0 5 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.914 109.9 47.6 -63.9 -42.7 43.7 23.3 11.9 92 106 A A H >> S+ 0 0 0 1,-0.2 4,-1.0 2,-0.2 3,-0.5 0.915 113.0 49.0 -64.4 -43.1 43.0 20.3 14.2 93 107 A R H 3X S+ 0 0 51 -4,-2.2 4,-2.3 1,-0.2 3,-0.5 0.885 104.9 60.8 -58.4 -37.5 40.9 22.6 16.4 94 108 A A H 3X S+ 0 0 2 -4,-2.2 4,-2.3 163,-0.3 5,-0.3 0.780 94.6 61.4 -68.0 -28.6 39.1 23.8 13.3 95 109 A M H S+ 0 0 0 -4,-2.6 5,-2.4 1,-0.2 4,-0.8 0.846 109.8 51.8 -61.3 -37.4 23.1 25.0 12.5 106 120 A R H <5S+ 0 0 52 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.801 103.4 56.3 -75.0 -28.2 21.4 21.7 11.6 107 121 A T H <5S+ 0 0 46 -4,-2.0 -1,-0.2 -3,-0.4 -2,-0.2 0.761 114.9 42.2 -67.0 -25.6 19.7 21.5 15.1 108 122 A L H <5S- 0 0 76 -4,-1.1 -2,-0.2 -5,-0.2 -1,-0.2 0.601 108.8-125.6 -92.7 -15.5 18.3 24.9 14.3 109 123 A G T <5 + 0 0 53 -4,-0.8 -3,-0.2 1,-0.2 -4,-0.1 0.686 65.4 133.6 73.9 23.3 17.4 24.2 10.7 110 124 A V < - 0 0 39 -5,-2.4 229,-2.0 -6,-0.1 -1,-0.2 -0.879 62.9-109.3-117.9 136.7 19.5 27.2 9.5 111 125 A P B > -g 339 0E 47 0, 0.0 4,-1.3 0, 0.0 3,-0.2 -0.231 31.8-125.6 -53.4 141.0 22.0 27.7 6.7 112 126 A L H >> S+ 0 0 0 227,-2.5 4,-1.2 1,-0.2 3,-0.7 0.947 107.1 53.0 -61.1 -54.0 25.5 28.1 8.1 113 127 A G H 34>S+ 0 0 3 226,-0.3 5,-2.6 1,-0.2 4,-0.4 0.828 105.9 56.8 -49.8 -34.1 26.4 31.4 6.4 114 128 A T H >45S+ 0 0 84 1,-0.2 3,-0.6 -3,-0.2 -1,-0.2 0.872 105.2 49.6 -67.4 -39.6 23.1 32.9 7.7 115 129 A L H <<5S+ 0 0 52 -4,-1.3 -1,-0.2 -3,-0.7 -2,-0.2 0.713 108.3 53.5 -71.1 -25.9 24.1 32.1 11.3 116 130 A L T 3<5S- 0 0 3 -4,-1.2 -1,-0.2 -3,-0.2 -2,-0.2 0.507 125.4-105.1 -87.8 -8.8 27.4 33.7 10.8 117 131 A G T < 5S+ 0 0 53 -3,-0.6 -3,-0.2 -4,-0.4 184,-0.1 0.412 73.9 135.8 105.6 2.5 25.6 36.8 9.5 118 132 A G < - 0 0 7 -5,-2.6 -1,-0.3 -6,-0.2 182,-0.2 -0.417 30.4-174.9 -78.0 152.3 26.1 36.6 5.7 119 133 A H + 0 0 165 180,-1.0 2,-0.3 -2,-0.1 181,-0.1 -0.047 39.0 118.7-141.6 45.8 23.3 37.2 3.2 120 134 A K - 0 0 90 179,-0.2 3,-0.1 176,-0.1 179,-0.1 -0.831 45.4-159.1-102.8 148.2 24.7 36.4 -0.2 121 135 A E S S+ 0 0 173 -2,-0.3 213,-2.5 1,-0.3 2,-0.3 0.524 82.2 20.2-102.2 -16.0 23.1 33.7 -2.4 122 136 A Q E -H 333 0F 95 211,-0.3 2,-0.3 177,-0.1 -1,-0.3 -0.983 69.3-145.4-149.2 162.3 26.3 33.4 -4.4 123 137 A V E -H 332 0F 8 209,-2.2 209,-2.9 -2,-0.3 2,-0.2 -0.916 24.2-110.6-128.3 147.6 29.9 34.3 -4.1 124 138 A E E -H 331 0F 84 -2,-0.3 183,-2.3 207,-0.2 2,-0.4 -0.532 34.8-157.7 -81.9 142.5 32.5 35.5 -6.7 125 139 A V B -j 307 0G 0 205,-2.2 26,-2.3 181,-0.3 27,-0.4 -0.908 7.7-160.4-122.9 152.5 35.3 33.2 -7.6 126 140 A G - 0 0 1 181,-2.4 2,-0.3 -2,-0.4 27,-0.2 -0.710 15.4-125.6-118.1 175.8 38.7 33.5 -9.1 127 141 A V E -k 153 0H 1 25,-2.0 27,-1.6 -2,-0.2 2,-0.5 -0.885 11.8-143.4-124.6 151.0 41.1 31.2 -10.8 128 142 A S E -k 154 0H 52 -2,-0.3 2,-0.5 25,-0.2 27,-0.2 -0.968 12.6-160.6-119.7 124.1 44.7 30.3 -10.0 129 143 A L E -k 155 0H 6 25,-3.0 27,-2.2 -2,-0.5 3,-0.1 -0.922 9.2-141.7-112.0 130.3 47.3 29.8 -12.7 130 144 A G - 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0 0 31 -5,-1.8 -1,-0.2 1,-0.1 -24,-0.2 -0.298 31.0-145.9 -60.4 148.5 36.3 34.3 -13.5 151 165 A R S S+ 0 0 76 -26,-2.3 2,-0.3 179,-0.2 26,-0.2 0.399 76.7 31.3-105.8 1.0 36.4 37.6 -11.7 152 166 A R - 0 0 2 -27,-0.4 -25,-2.0 155,-0.1 2,-0.5 -0.950 65.7-148.2-152.4 140.0 40.0 37.6 -10.6 153 167 A I E -kl 127 178H 2 24,-2.5 26,-2.6 -2,-0.3 2,-0.5 -0.939 11.9-164.3-106.4 130.4 43.2 36.1 -12.2 154 168 A K E -kl 128 179H 17 -27,-1.6 -25,-3.0 -2,-0.5 2,-0.5 -0.974 2.6-163.8-114.6 121.0 46.0 34.9 -10.0 155 169 A L E -kl 129 180H 5 24,-2.8 26,-2.4 -2,-0.5 2,-0.4 -0.904 16.6-135.4-103.7 128.4 49.4 34.3 -11.4 156 170 A K E - l 0 181H 88 -27,-2.2 2,-0.3 -2,-0.5 -24,-0.2 -0.691 32.9-173.8 -71.2 124.2 52.0 32.3 -9.6 157 171 A I + 0 0 2 24,-2.1 5,-0.2 -2,-0.4 28,-0.1 -0.832 13.0 178.2-117.2 161.9 55.3 34.1 -9.8 158 172 A K B > -R 161 0I 105 3,-1.8 3,-2.7 -2,-0.3 28,-0.1 -0.969 47.3 -67.8-151.0 165.0 58.9 33.4 -8.8 159 173 A P T 3 S+ 0 0 63 0, 0.0 27,-0.0 0, 0.0 31,-0.0 -0.360 126.9 22.9 -57.2 139.3 62.3 35.1 -9.1 160 174 A G T 3 S+ 0 0 56 -3,-0.0 2,-0.2 0, 0.0 4,-0.1 0.089 124.5 61.9 84.1 -19.8 63.3 35.2 -12.8 161 175 A W B < S+R 158 0I 45 -3,-2.7 -3,-1.8 3,-0.1 -27,-0.0 -0.572 77.4 77.7-141.2 75.5 59.5 34.9 -13.7 162 176 A D S > S+ 0 0 0 -5,-0.2 4,-1.8 -2,-0.2 5,-0.2 0.451 87.1 43.0-142.0 -65.6 57.4 37.8 -12.5 163 177 A V H > S+ 0 0 6 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.881 112.1 59.3 -60.7 -32.9 57.5 41.0 -14.4 164 178 A Q H > S+ 0 0 35 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.966 109.2 37.5 -65.9 -57.9 57.4 39.1 -17.7 165 179 A P H > S+ 0 0 2 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.884 119.6 50.2 -61.6 -37.5 54.1 37.2 -17.3 166 180 A V H X S+ 0 0 0 -4,-1.8 4,-3.0 2,-0.2 5,-0.3 0.940 111.5 47.0 -67.4 -48.5 52.5 40.2 -15.5 167 181 A R H X S+ 0 0 78 -4,-3.1 4,-2.2 -5,-0.2 5,-0.2 0.959 115.2 46.4 -52.3 -53.9 53.5 42.6 -18.3 168 182 A A H X S+ 0 0 9 -4,-2.5 4,-1.6 -5,-0.2 -1,-0.2 0.890 115.8 45.6 -60.1 -40.9 52.3 40.3 -21.0 169 183 A T H X S+ 0 0 0 -4,-2.2 4,-1.4 -5,-0.2 -1,-0.2 0.900 113.0 47.8 -70.6 -44.8 49.0 39.6 -19.3 170 184 A R H < S+ 0 0 27 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.849 108.4 57.5 -65.5 -33.8 48.3 43.2 -18.4 171 185 A E H < S+ 0 0 139 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.899 113.1 38.3 -63.0 -45.4 49.1 44.2 -22.0 172 186 A A H < S+ 0 0 35 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.703 128.9 34.4 -77.6 -19.8 46.5 41.9 -23.4 173 187 A F >< + 0 0 26 -4,-1.4 3,-0.5 -5,-0.1 -1,-0.2 -0.666 63.9 173.4-140.4 77.5 44.0 42.6 -20.5 174 188 A P T 3 S+ 0 0 89 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.734 78.8 33.7 -66.0 -21.6 44.2 46.2 -19.4 175 189 A D T 3 S+ 0 0 154 2,-0.1 -5,-0.1 0, 0.0 3,-0.0 0.524 83.4 113.7-114.2 -10.4 41.2 46.1 -17.0 176 190 A I S < S- 0 0 37 -3,-0.5 2,-0.9 1,-0.1 -24,-0.1 -0.242 76.8-102.2 -65.3 154.5 40.9 42.7 -15.4 177 191 A R - 0 0 90 -26,-0.2 -24,-2.5 25,-0.1 2,-0.4 -0.675 52.3-175.3 -72.8 107.7 41.4 42.2 -11.7 178 192 A L E +l 153 0H 0 -2,-0.9 25,-2.6 23,-0.4 26,-0.5 -0.906 11.0 164.8-117.6 136.7 45.0 40.7 -11.7 179 193 A T E -l 154 0H 0 -26,-2.6 -24,-2.8 -2,-0.4 2,-0.3 -0.908 20.8-139.6-137.2 167.0 47.0 39.4 -8.8 180 194 A V E -lm 155 205H 0 24,-1.7 26,-2.7 -2,-0.3 2,-0.6 -0.957 8.4-143.7-129.4 153.4 50.1 37.3 -8.1 181 195 A D E -lm 156 206H 31 -26,-2.4 -24,-2.1 -2,-0.3 26,-0.1 -0.953 14.3-175.8-109.6 106.6 51.0 34.6 -5.6 182 196 A A > - 0 0 0 24,-1.7 3,-1.8 -2,-0.6 25,-0.1 0.514 24.0-148.5 -86.0 -5.6 54.7 35.2 -4.7 183 197 A N T 3 - 0 0 69 23,-0.4 24,-0.1 1,-0.3 28,-0.1 0.768 53.3 -70.1 49.7 41.5 54.7 32.1 -2.6 184 198 A S T 3 S+ 0 0 26 23,-2.4 -1,-0.3 22,-0.4 27,-0.2 0.731 102.7 122.7 54.9 30.8 57.3 33.2 0.0 185 199 A A < + 0 0 44 -3,-1.8 2,-0.2 -28,-0.1 24,-0.2 0.361 51.1 75.3-109.1 2.9 60.1 33.0 -2.5 186 200 A Y - 0 0 8 22,-2.4 2,-0.3 -4,-0.1 24,-0.1 -0.638 57.4-157.4-107.3 170.5 61.5 36.6 -2.4 187 201 A T > - 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0 0 11 -6,-0.1 -8,-0.7 4,-0.1 2,-0.3 -0.351 53.3-164.0 -83.5 153.7 54.6 20.2 18.8 776 66 C T B > -q 767 0W 6 -10,-0.2 4,-2.6 -6,-0.1 5,-0.3 -0.924 32.6-117.2-128.8 157.3 53.6 16.8 20.1 777 67 C I H > S+ 0 0 22 -10,-1.5 4,-2.3 -2,-0.3 5,-0.3 0.889 114.8 55.0 -57.5 -37.8 55.5 13.5 20.5 778 68 C A H > S+ 0 0 30 -10,-0.3 4,-1.6 -11,-0.2 -1,-0.2 0.951 114.0 38.1 -63.6 -51.3 53.1 11.9 18.0 779 69 C G H > S+ 0 0 5 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.857 116.0 51.0 -67.6 -41.7 53.7 14.4 15.3 780 70 C A H X S+ 0 0 1 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.922 111.8 46.8 -65.2 -41.7 57.5 14.8 15.9 781 71 C L H X S+ 0 0 13 -4,-2.3 4,-2.6 -5,-0.3 5,-0.3 0.869 111.6 51.1 -70.4 -34.4 58.2 11.1 15.9 782 72 C D H X S+ 0 0 50 -4,-1.6 4,-2.4 -5,-0.3 -1,-0.2 0.907 110.0 50.2 -65.6 -41.7 56.1 10.6 12.7 783 73 C L H X>S+ 0 0 1 -4,-2.2 5,-2.1 3,-0.2 4,-1.7 0.885 112.3 49.7 -61.5 -39.3 58.1 13.4 11.1 784 74 C L H <>S+ 0 0 0 -4,-2.1 5,-2.7 3,-0.2 3,-0.2 0.987 118.2 33.9 -64.9 -61.8 61.3 11.7 12.2 785 75 C R H <5S+ 0 0 91 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.870 126.4 42.9 -65.6 -29.8 60.6 8.2 10.9 786 76 C G H <5S- 0 0 26 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.689 133.8 -1.7 -93.1 -18.6 58.7 9.4 7.9 787 77 C T T X5S+ 0 0 15 -4,-1.7 4,-1.3 -3,-0.2 -3,-0.2 0.581 125.5 43.5-136.7 -62.9 60.7 12.3 6.6 788 78 C F H >>> S- 0 0 55 -72,-0.1 4,-1.4 1,-0.1 3,-0.7 -0.957 75.2 -86.5-165.8 167.5 79.2 18.9 9.5 800 90 C P H 3> S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.850 123.2 61.0 -56.8 -35.4 76.0 19.2 11.5 801 91 C E H 3> S+ 0 0 64 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.852 102.9 51.5 -59.9 -36.0 75.0 22.3 9.4 802 92 C A H <> S+ 0 0 30 -3,-0.7 4,-1.3 2,-0.2 -1,-0.2 0.846 108.4 51.8 -69.6 -33.2 75.1 20.0 6.4 803 93 C V H >< S+ 0 0 0 -4,-1.4 3,-0.7 2,-0.2 4,-0.4 0.969 110.8 46.7 -63.9 -49.9 72.8 17.5 8.2 804 94 C S H >< S+ 0 0 33 -4,-2.6 3,-1.4 1,-0.2 -2,-0.2 0.882 107.8 57.6 -59.4 -39.4 70.3 20.3 9.0 805 95 C D H >< S+ 0 0 135 -4,-2.1 3,-0.7 1,-0.3 -1,-0.2 0.858 99.1 60.5 -58.7 -35.2 70.5 21.5 5.4 806 96 C A T << S+ 0 0 37 -4,-1.3 -1,-0.3 -3,-0.7 -2,-0.2 0.510 82.5 81.2 -75.5 -7.5 69.4 18.0 4.2 807 97 C L T X S- 0 0 3 -3,-1.4 3,-0.6 -4,-0.4 -1,-0.2 0.050 93.2-134.4 -88.1 23.5 66.0 18.1 6.0 808 98 C G T < - 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