==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 24-MAR-06 2GGI . COMPND 2 MOLECULE: N-ACYLAMINO ACID RACEMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: DEINOCOCCUS RADIODURANS; . AUTHOR W.C.WANG,W.C.CHIU . 1440 8 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 52458.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 981 68.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 119 8.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 163 11.3 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 . 15 1.0 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 . 86 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 146 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 389 27.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 33 2.3 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 0 12 4 3 1 4 17 0 1 6 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 17 11 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 . 14 4 4 0 0 4 4 0 1 3 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 0 265 0, 0.0 2,-0.1 0, 0.0 106,-0.0 0.000 360.0 360.0 360.0 168.0 18.3 24.4 23.2 2 7 A M - 0 0 112 1,-0.0 2,-0.4 70,-0.0 72,-0.2 -0.369 360.0-134.8 -72.0 154.0 21.7 23.0 24.0 3 8 A F E -A 73 0A 1 70,-2.6 70,-3.2 -2,-0.1 2,-0.5 -0.908 7.9-148.6-113.6 145.0 23.3 20.2 22.0 4 9 A K E -A 72 0A 88 -2,-0.4 2,-0.8 68,-0.3 28,-0.3 -0.931 12.3-137.6-110.8 130.1 25.0 17.2 23.4 5 10 A I + 0 0 0 66,-2.1 65,-4.1 -2,-0.5 66,-0.3 -0.771 31.1 166.0 -91.4 110.7 27.9 15.6 21.5 6 11 A E + 0 0 87 24,-2.3 355,-0.5 -2,-0.8 2,-0.3 0.770 57.9 12.2 -96.7 -29.6 27.4 11.8 21.7 7 12 A A E -BC 30 360B 3 23,-1.3 23,-2.8 353,-0.1 2,-0.4 -0.993 53.0-162.4-150.4 152.9 29.7 10.4 19.0 8 13 A A E -BC 29 359B 0 351,-2.2 351,-2.6 -2,-0.3 2,-0.4 -0.999 5.8-162.2-135.8 138.1 32.5 11.3 16.7 9 14 A E E -BC 28 358B 20 19,-2.4 19,-2.4 -2,-0.4 2,-0.5 -0.980 5.4-157.6-114.6 136.6 33.9 9.6 13.7 10 15 A I E -BC 27 357B 0 347,-2.0 347,-1.7 -2,-0.4 2,-0.5 -0.962 17.0-179.8-103.7 121.7 37.3 10.1 12.1 11 16 A V E -BC 26 356B 1 15,-2.3 15,-2.9 -2,-0.5 2,-0.6 -0.992 11.8-163.0-123.9 124.0 37.3 9.1 8.4 12 17 A V E -BC 25 355B 20 343,-3.2 342,-2.7 -2,-0.5 343,-1.4 -0.943 14.3-169.3-106.9 115.7 40.4 9.4 6.3 13 18 A A E -BC 24 353B 0 11,-3.2 11,-3.2 -2,-0.6 2,-0.6 -0.709 22.4-149.2-102.1 152.8 39.8 9.3 2.6 14 19 A R E -B 23 0B 106 338,-2.7 9,-0.2 -2,-0.3 -2,-0.0 -0.907 28.3-164.5-117.4 98.9 42.1 9.0 -0.3 15 20 A L E -B 22 0B 0 7,-3.0 7,-2.3 -2,-0.6 2,-0.2 -0.731 18.0-121.2 -97.1 124.1 40.3 10.8 -3.0 16 21 A P E -B 21 0B 34 0, 0.0 301,-0.8 0, 0.0 302,-0.5 -0.417 25.8-134.9 -64.9 128.3 41.3 10.5 -6.7 17 22 A L B E 316 0C 57 3,-2.0 299,-0.3 299,-0.2 298,-0.1 -0.291 360.0 360.0 -69.7 165.8 42.2 13.7 -8.3 18 23 A K 0 0 144 297,-2.1 -1,-0.1 296,-0.1 298,-0.0 -0.645 360.0 360.0 -82.9 360.0 40.9 14.6 -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 0 136 0, 0.0 -3,-2.0 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -76.2 47.2 11.4 -8.1 21 35 A H E -B 16 0B 67 -5,-0.3 2,-0.4 2,-0.0 -7,-0.0 -0.959 360.0-141.6-140.5 157.1 45.2 11.2 -4.9 22 36 A K E -B 15 0B 44 -7,-2.3 -7,-3.0 -2,-0.3 2,-0.6 -0.989 16.5-131.2-124.2 133.1 44.5 13.5 -1.9 23 37 A V E -B 14 0B 58 -2,-0.4 -9,-0.2 -9,-0.2 21,-0.1 -0.703 26.3-169.6 -76.6 121.7 44.3 12.4 1.7 24 38 A V E -B 13 0B 0 -11,-3.2 -11,-3.2 -2,-0.6 2,-0.4 -0.915 5.3-162.0-120.4 102.7 41.1 13.9 3.1 25 39 A P E -B 12 0B 0 0, 0.0 15,-3.0 0, 0.0 2,-0.4 -0.727 14.5-171.7 -82.1 128.2 40.7 13.7 6.9 26 40 A L E -BD 11 39B 0 -15,-2.9 -15,-2.3 -2,-0.4 2,-0.4 -0.953 15.9-157.5-123.0 142.3 37.1 14.2 8.0 27 41 A L E -BD 10 38B 0 11,-2.3 11,-2.4 -2,-0.4 2,-0.5 -0.984 8.5-167.9-112.3 131.9 35.5 14.6 11.4 28 42 A I E -BD 9 37B 0 -19,-2.4 -19,-2.4 -2,-0.4 2,-0.4 -0.978 3.9-163.1-119.1 122.4 31.8 13.8 11.9 29 43 A L E -BD 8 36B 0 7,-3.3 7,-3.1 -2,-0.5 2,-0.4 -0.898 6.0-156.5-108.7 134.2 30.1 14.9 15.1 30 44 A H E +BD 7 35B 46 -23,-2.8 -24,-2.3 -2,-0.4 -23,-1.3 -0.912 28.4 129.4-113.2 132.4 26.8 13.3 16.1 31 45 A G E > + D 0 34B 1 3,-2.4 3,-2.8 -2,-0.4 -26,-0.1 -0.913 59.3 15.5-172.0 154.2 24.2 14.8 18.4 32 46 A E T 3 S- 0 0 99 -28,-0.3 3,-0.1 1,-0.3 -27,-0.1 0.775 125.6 -59.6 53.8 33.0 20.5 15.6 18.8 33 47 A G T 3 S+ 0 0 82 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.481 122.9 87.8 75.7 1.6 19.6 13.3 15.9 34 48 A V E < -D 31 0B 46 -3,-2.8 -3,-2.4 69,-0.0 2,-0.3 -0.666 63.8-137.8-120.7 179.2 21.8 15.4 13.5 35 49 A Q E -D 30 0B 60 -5,-0.2 2,-0.4 -2,-0.2 -5,-0.2 -0.989 0.7-150.4-140.5 151.2 25.5 15.4 12.4 36 50 A G E -D 29 0B 0 -7,-3.1 -7,-3.3 -2,-0.3 2,-0.4 -0.957 15.3-164.5-119.2 141.1 28.2 17.9 11.7 37 51 A V E +D 28 0B 7 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.984 10.3 171.7-128.8 134.1 31.0 17.3 9.3 38 52 A A E -D 27 0B 0 -11,-2.4 -11,-2.3 -2,-0.4 2,-0.4 -0.963 22.2-133.4-139.2 163.0 34.3 19.1 8.8 39 53 A E E -D 26 0B 8 -2,-0.3 -13,-0.2 -13,-0.2 2,-0.2 -0.940 16.3-132.0-119.5 128.6 37.5 18.6 6.7 40 54 A G - 0 0 1 -15,-3.0 250,-0.1 -2,-0.4 52,-0.1 -0.552 11.4-167.2 -75.3 142.5 41.1 18.8 7.9 41 55 A T + 0 0 12 -2,-0.2 2,-0.2 50,-0.1 -1,-0.1 0.272 52.4 111.4-112.1 6.8 43.5 20.9 5.8 42 56 A M - 0 0 8 49,-0.1 10,-0.2 10,-0.1 2,-0.2 -0.510 60.7-135.5 -73.4 152.1 46.7 19.7 7.5 43 57 A E B -f 52 0D 62 8,-0.7 10,-1.8 2,-0.2 11,-0.2 -0.536 23.5-103.4-106.2 170.0 49.0 17.6 5.3 44 58 A A S S+ 0 0 52 8,-0.2 10,-0.3 -2,-0.2 -1,-0.1 0.938 114.3 27.8 -53.4 -46.9 51.0 14.3 5.7 45 59 A R S S- 0 0 99 7,-0.1 2,-1.6 8,-0.1 3,-0.3 -0.875 98.0-104.0-116.1 150.6 54.1 16.5 5.9 46 60 A P S S+ 0 0 0 0, 0.0 765,-2.5 0, 0.0 6,-0.1 -0.534 70.4 128.2 -76.9 87.6 54.3 20.2 7.1 47 61 A M S S+ 0 0 108 -2,-1.6 3,-0.1 763,-0.2 5,-0.0 0.832 74.2 33.0-109.6 -50.9 54.6 22.0 3.8 48 62 A Y S S- 0 0 26 -3,-0.3 2,-0.2 3,-0.1 184,-0.1 0.880 138.1 -23.7 -71.7 -44.6 51.9 24.7 3.7 49 63 A R S S- 0 0 37 2,-0.3 762,-0.4 762,-0.1 -1,-0.1 -0.737 83.3 -73.0-150.4-155.4 52.2 25.3 7.4 50 64 A E S S+ 0 0 23 -2,-0.2 2,-0.1 760,-0.1 -8,-0.0 0.615 88.2 90.7 -92.0 -16.1 53.3 23.4 10.6 51 65 A E - 0 0 13 -6,-0.1 -8,-0.7 4,-0.0 2,-0.3 -0.410 52.2-161.4 -87.0 158.3 50.6 20.8 11.3 52 66 A T B > -f 43 0D 6 -10,-0.2 4,-2.8 1,-0.1 -8,-0.2 -0.931 30.6-116.5-133.1 157.9 50.5 17.2 10.2 53 67 A I H > S+ 0 0 23 -10,-1.8 4,-3.0 -2,-0.3 5,-0.4 0.943 115.7 50.9 -56.3 -49.7 47.8 14.6 9.8 54 68 A A H > S+ 0 0 31 -10,-0.3 4,-1.5 1,-0.2 -1,-0.2 0.902 115.0 42.4 -56.2 -44.0 49.5 12.3 12.4 55 69 A G H > S+ 0 0 5 2,-0.2 4,-1.9 724,-0.2 -1,-0.2 0.929 117.1 47.0 -68.0 -45.5 49.8 15.1 15.0 56 70 A A H X S+ 0 0 1 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.908 113.0 46.3 -67.4 -43.1 46.3 16.5 14.4 57 71 A L H X S+ 0 0 13 -4,-3.0 4,-2.7 1,-0.2 5,-0.3 0.862 112.0 51.9 -71.0 -35.1 44.5 13.1 14.5 58 72 A D H X S+ 0 0 55 -4,-1.5 4,-2.2 -5,-0.4 -1,-0.2 0.864 110.6 49.2 -63.0 -38.8 46.4 12.1 17.7 59 73 A L H X>S+ 0 0 1 -4,-1.9 5,-2.6 2,-0.2 4,-1.4 0.875 113.0 47.3 -68.5 -40.1 45.3 15.4 19.2 60 74 A L H <>S+ 0 0 0 -4,-2.2 5,-2.8 3,-0.2 -2,-0.2 0.962 119.4 37.3 -61.0 -55.5 41.7 14.8 18.2 61 75 A R H <5S+ 0 0 87 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.840 126.0 36.6 -75.8 -31.3 41.4 11.2 19.4 62 76 A G H <5S+ 0 0 27 -4,-2.2 -1,-0.2 -5,-0.3 -3,-0.2 0.637 136.2 4.0 -94.3 -14.9 43.6 11.6 22.6 63 77 A T T X5S+ 0 0 12 -4,-1.4 4,-1.3 -5,-0.2 -3,-0.2 0.608 122.5 44.3-134.8 -60.0 42.6 15.2 23.7 64 78 A F H >>> S- 0 0 56 -72,-0.1 4,-1.2 -73,-0.0 3,-0.5 -0.940 75.7 -81.1-164.4 173.1 26.8 27.0 20.9 76 90 A P H 3> S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.780 123.0 61.7 -61.4 -29.1 30.0 26.3 18.9 77 91 A E H 3> S+ 0 0 57 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.875 102.3 52.4 -63.6 -36.8 31.9 29.0 20.9 78 92 A A H <> S+ 0 0 30 -3,-0.5 4,-1.1 2,-0.2 -1,-0.2 0.842 108.1 50.9 -65.1 -36.5 31.3 26.9 24.0 79 93 A V H >X S+ 0 0 0 -4,-1.2 3,-0.9 2,-0.2 4,-0.6 0.975 111.7 46.1 -63.7 -54.3 32.7 23.8 22.2 80 94 A S H >X S+ 0 0 24 -4,-2.4 3,-1.6 1,-0.3 4,-0.9 0.900 109.0 56.3 -53.6 -47.6 35.9 25.7 21.2 81 95 A D H 3< S+ 0 0 131 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.803 97.1 64.0 -52.1 -36.4 36.2 27.1 24.7 82 96 A A H << S+ 0 0 40 -4,-1.1 -1,-0.3 -3,-0.9 -2,-0.2 0.652 107.3 42.3 -69.9 -17.2 36.2 23.5 26.1 83 97 A L H << S+ 0 0 7 -3,-1.6 2,-2.6 -4,-0.6 -2,-0.2 0.847 83.1 116.8 -82.5 -88.6 39.5 22.8 24.2 84 98 A G < + 0 0 44 -4,-0.9 -1,-0.1 1,-0.3 -2,-0.1 -0.133 49.3 74.9 75.2 -48.5 41.3 26.1 25.0 85 99 A S S S+ 0 0 97 -2,-2.6 -1,-0.3 -3,-0.1 -2,-0.1 0.887 78.2 96.2 -66.5 -35.7 44.3 25.3 27.1 86 100 A Y S S- 0 0 57 -3,-0.1 2,-0.3 1,-0.1 685,-0.2 -0.189 72.5-124.9 -74.7 144.0 46.2 23.9 24.1 87 101 A R - 0 0 37 683,-2.9 686,-0.1 686,-0.4 -1,-0.1 -0.663 61.2 -34.8 -93.5 136.6 48.7 25.9 22.0 88 102 A G S S+ 0 0 11 -2,-0.3 5,-0.1 1,-0.1 687,-0.0 -0.272 74.6 125.2 58.6-136.1 48.5 26.4 18.2 89 103 A N > + 0 0 12 1,-0.1 4,-2.2 3,-0.1 3,-0.3 0.857 31.7 162.6 52.4 41.2 47.2 23.4 16.3 90 104 A R H > + 0 0 69 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.828 67.1 52.2 -66.6 -35.0 44.6 25.6 14.7 91 105 A M H > S+ 0 0 4 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.862 110.5 48.9 -69.2 -35.3 43.7 23.3 11.8 92 106 A A H > S+ 0 0 0 -3,-0.3 4,-1.1 2,-0.2 3,-0.3 0.933 113.3 47.2 -65.6 -46.0 43.1 20.4 14.3 93 107 A R H X S+ 0 0 42 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.849 105.8 60.3 -58.5 -39.8 40.9 22.7 16.4 94 108 A A H X S+ 0 0 0 -4,-2.1 4,-2.9 163,-0.3 5,-0.4 0.846 96.1 60.9 -61.7 -36.0 39.1 23.8 13.2 95 109 A M H X S+ 0 0 1 -4,-1.4 4,-1.8 -3,-0.3 -1,-0.2 0.952 112.6 36.9 -55.7 -50.3 38.0 20.3 12.6 96 110 A V H X S+ 0 0 0 -4,-1.1 4,-2.6 2,-0.2 -2,-0.2 0.967 119.6 47.3 -64.0 -55.2 36.1 20.2 15.9 97 111 A E H X S+ 0 0 2 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.866 114.5 46.2 -56.6 -42.6 34.9 23.8 15.8 98 112 A M H X S+ 0 0 7 -4,-2.9 4,-2.0 2,-0.2 -1,-0.2 0.891 111.9 49.5 -72.6 -41.6 33.7 23.6 12.2 99 113 A A H X S+ 0 0 0 -4,-1.8 4,-2.6 -5,-0.4 -2,-0.2 0.874 110.7 53.7 -60.2 -39.5 31.8 20.3 12.6 100 114 A A H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.885 106.4 50.6 -61.5 -43.2 30.3 22.0 15.7 101 115 A W H X S+ 0 0 8 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.921 112.8 47.3 -56.5 -44.8 29.1 24.9 13.6 102 116 A D H X S+ 0 0 2 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.926 114.5 44.9 -67.3 -43.8 27.5 22.5 11.1 103 117 A L H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.938 114.2 49.3 -66.5 -45.9 25.8 20.3 13.8 104 118 A W H X S+ 0 0 39 -4,-2.6 4,-1.2 2,-0.2 3,-0.3 0.942 110.8 49.1 -59.7 -52.7 24.6 23.4 15.7 105 119 A A H X>S+ 0 0 0 -4,-2.6 5,-2.1 1,-0.2 4,-1.1 0.882 111.0 52.0 -51.8 -42.3 23.1 25.0 12.5 106 120 A R H <5S+ 0 0 54 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.843 101.7 57.7 -70.0 -30.3 21.5 21.7 11.7 107 121 A T H <5S+ 0 0 49 -4,-2.0 -1,-0.2 -3,-0.3 -2,-0.2 0.828 116.1 39.4 -63.2 -26.1 19.8 21.4 15.2 108 122 A L H <5S- 0 0 75 -4,-1.2 -2,-0.2 -3,-0.3 -1,-0.2 0.608 107.5-125.0 -98.4 -16.2 18.2 24.8 14.3 109 123 A G T <5 + 0 0 54 -4,-1.1 -3,-0.2 1,-0.2 -4,-0.1 0.753 66.3 131.3 76.3 26.9 17.5 24.1 10.6 110 124 A V < - 0 0 39 -5,-2.1 229,-2.5 -6,-0.1 -1,-0.2 -0.911 63.6-109.0-116.3 138.1 19.4 27.2 9.5 111 125 A P B > -g 339 0E 42 0, 0.0 4,-1.5 0, 0.0 229,-0.2 -0.283 31.5-123.0 -57.8 148.9 22.1 27.5 6.7 112 126 A L H > S+ 0 0 0 227,-2.9 4,-1.7 1,-0.2 3,-0.2 0.934 108.3 52.7 -65.9 -49.6 25.6 28.1 8.2 113 127 A G H >>S+ 0 0 2 226,-0.4 5,-2.9 1,-0.2 4,-0.6 0.868 106.4 57.6 -52.8 -37.9 26.4 31.4 6.5 114 128 A T H >45S+ 0 0 82 1,-0.2 3,-1.0 3,-0.2 -1,-0.2 0.921 105.7 47.2 -58.8 -48.0 23.1 32.7 7.8 115 129 A L H 3<5S+ 0 0 54 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.787 110.6 53.8 -66.1 -28.4 24.0 32.1 11.4 116 130 A L H 3<5S- 0 0 3 -4,-1.7 -1,-0.3 2,-0.1 -2,-0.2 0.551 125.6-104.3 -79.8 -11.1 27.4 33.7 10.8 117 131 A G T <<5S+ 0 0 54 -3,-1.0 -3,-0.2 -4,-0.6 184,-0.2 0.452 73.9 136.8 104.2 3.5 25.6 36.8 9.5 118 132 A G < + 0 0 8 -5,-2.9 -1,-0.3 -6,-0.2 182,-0.2 -0.453 25.7 177.2 -77.6 153.9 26.1 36.4 5.7 119 133 A H + 0 0 167 180,-1.1 2,-0.3 -2,-0.1 181,-0.1 0.138 38.2 119.3-143.2 25.9 23.3 37.1 3.3 120 134 A K - 0 0 82 179,-0.7 3,-0.1 176,-0.1 179,-0.1 -0.693 45.5-160.3 -81.8 144.4 24.8 36.6 -0.2 121 135 A E S S+ 0 0 166 -2,-0.3 213,-2.4 1,-0.2 2,-0.3 0.520 79.5 27.3-100.5 -12.8 23.2 33.9 -2.3 122 136 A Q E S-H 333 0F 90 211,-0.3 2,-0.4 177,-0.1 -1,-0.2 -0.982 71.0-149.8-142.9 150.2 26.3 33.6 -4.6 123 137 A V E -H 332 0F 7 209,-2.3 209,-2.9 -2,-0.3 2,-0.2 -0.950 24.5-111.8-122.1 145.7 30.0 34.3 -4.1 124 138 A E E -H 331 0F 81 -2,-0.4 183,-2.4 207,-0.2 2,-0.4 -0.515 31.5-155.0 -78.1 138.0 32.5 35.5 -6.7 125 139 A V B -j 307 0G 0 205,-2.5 26,-1.9 181,-0.3 27,-0.4 -0.896 6.6-163.1-117.9 144.6 35.2 33.0 -7.6 126 140 A G - 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0 0 86 -26,-0.2 -24,-2.6 25,-0.1 2,-0.4 -0.768 49.3-173.2 -82.2 110.2 41.5 42.1 -11.8 178 192 A L E +l 153 0H 0 -2,-0.9 25,-2.6 23,-0.4 26,-0.5 -0.908 12.1 165.7-116.1 132.0 45.0 40.7 -11.7 179 193 A T E -l 154 0H 0 -26,-2.8 -24,-2.4 -2,-0.4 2,-0.3 -0.870 19.8-140.6-131.0 168.3 46.9 39.3 -8.7 180 194 A V E -lm 155 205H 0 24,-1.6 26,-2.7 -2,-0.3 2,-0.7 -0.981 9.0-140.4-132.4 151.3 50.0 37.2 -8.1 181 195 A D E -lm 156 206H 35 -26,-2.8 -24,-2.4 -2,-0.3 26,-0.1 -0.927 16.6-178.1-106.3 110.0 51.0 34.5 -5.7 182 196 A A > - 0 0 0 24,-1.6 3,-1.8 -2,-0.7 25,-0.1 0.545 23.4-149.4 -90.0 -12.0 54.7 35.1 -4.7 183 197 A N T 3 - 0 0 69 23,-0.4 24,-0.1 1,-0.3 28,-0.1 0.771 53.7 -72.6 54.6 40.7 54.8 32.0 -2.5 184 198 A S T 3 S+ 0 0 28 23,-2.6 -1,-0.3 22,-0.4 27,-0.2 0.769 100.2 126.9 47.9 32.6 57.3 33.3 0.1 185 199 A A < + 0 0 45 -3,-1.8 2,-0.2 22,-0.1 24,-0.2 0.438 51.8 75.8 -99.2 3.0 60.1 33.0 -2.5 186 200 A Y - 0 0 9 22,-2.3 2,-0.3 -4,-0.1 24,-0.1 -0.633 56.8-157.1-115.2 168.7 61.5 36.5 -2.2 187 201 A T > - 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0 0 11 -6,-0.1 -8,-0.7 4,-0.1 2,-0.3 -0.407 52.2-164.3 -77.8 150.9 54.6 20.4 18.9 776 66 C T B > -q 767 0W 6 -10,-0.2 4,-2.7 -6,-0.1 -8,-0.2 -0.900 30.1-118.6-126.3 158.3 53.4 17.0 20.2 777 67 C I H > S+ 0 0 22 -10,-1.7 4,-2.6 -2,-0.3 5,-0.3 0.902 114.8 51.6 -63.8 -41.4 55.3 13.7 20.5 778 68 C A H > S+ 0 0 30 -10,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.932 113.0 45.5 -59.7 -47.0 53.0 11.9 18.0 779 69 C G H > S+ 0 0 4 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.944 115.4 46.3 -62.9 -48.6 53.6 14.7 15.5 780 70 C A H X S+ 0 0 1 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.897 111.9 47.6 -65.5 -44.1 57.3 14.8 16.0 781 71 C L H X S+ 0 0 12 -4,-2.6 4,-2.8 1,-0.2 5,-0.3 0.903 111.2 52.5 -67.4 -36.4 58.1 11.1 15.9 782 72 C D H X S+ 0 0 54 -4,-1.7 4,-2.3 -5,-0.3 5,-0.2 0.898 109.9 48.9 -62.1 -42.7 56.0 10.7 12.8 783 73 C L H X>S+ 0 0 2 -4,-1.9 5,-2.2 2,-0.2 4,-1.8 0.911 113.3 48.0 -61.7 -45.1 58.0 13.5 11.2 784 74 C L H <>S+ 0 0 0 -4,-2.7 5,-2.9 3,-0.2 -2,-0.2 0.983 118.7 36.8 -57.2 -59.8 61.3 11.9 12.2 785 75 C R H <5S+ 0 0 87 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.838 125.2 39.2 -70.6 -30.7 60.5 8.4 11.0 786 76 C G H <5S+ 0 0 30 -4,-2.3 -1,-0.2 -5,-0.3 -3,-0.2 0.726 136.0 0.9 -89.8 -21.3 58.6 9.4 7.9 787 77 C T T X5S+ 0 0 14 -4,-1.8 4,-1.1 -5,-0.2 -3,-0.2 0.682 123.8 46.4-132.9 -58.6 60.6 12.4 6.7 788 78 C F H >> S- 0 0 55 -72,-0.1 4,-1.2 -73,-0.0 3,-0.3 -0.925 74.8 -84.4-158.8 177.0 79.1 18.9 9.6 800 90 C P H > S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.772 122.3 62.5 -64.4 -26.1 75.8 19.3 11.5 801 91 C E H > S+ 0 0 59 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.897 102.2 50.1 -64.0 -40.3 74.9 22.3 9.4 802 92 C A H > S+ 0 0 29 -3,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.824 108.2 54.2 -66.7 -31.9 74.9 20.0 6.3 803 93 C V H < S+ 0 0 0 -4,-1.2 4,-0.5 2,-0.2 3,-0.4 0.966 110.8 44.5 -64.3 -51.5 72.7 17.6 8.2 804 94 C S H >< S+ 0 0 34 -4,-2.3 3,-1.3 1,-0.2 4,-0.4 0.876 109.9 55.8 -58.7 -41.5 70.2 20.3 9.0 805 95 C D H >< S+ 0 0 139 -4,-2.3 3,-1.1 1,-0.3 -1,-0.2 0.868 102.0 58.6 -59.1 -36.2 70.3 21.6 5.4 806 96 C A T 3< S+ 0 0 39 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.567 87.3 75.4 -74.9 -11.7 69.4 18.1 4.2 807 97 C L T < S- 0 0 4 -3,-1.3 3,-0.3 -4,-0.5 -1,-0.3 0.791 94.3-142.4 -73.5 -26.2 66.1 18.0 6.1 808 98 C G < - 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