==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 01-FEB-06 2FW9 . COMPND 2 MOLECULE: N5-CARBOXYAMINOIMIDAZOLE RIBONUCLEOTIDE MUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ACETOBACTER ACETI; . AUTHOR C.M.STARKS,T.J.KAPPOCK . 318 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13957.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 232 73.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 13.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 20 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 120 37.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.3 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 0 0 0 4 0 1 1 0 2 0 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 0 0 4 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 PARALLEL BRIDGES PER LADDER . 1 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 1 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 20 A S 0 0 160 0, 0.0 31,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -61.2 7.3 47.5 -125.0 2 21 A A - 0 0 65 1,-0.1 31,-0.0 29,-0.1 2,-0.0 -0.489 360.0 -99.8 -72.1 139.9 8.5 45.1 -127.7 3 22 A P + 0 0 38 0, 0.0 29,-0.3 0, 0.0 -1,-0.1 -0.323 35.3 179.3 -63.4 138.8 12.1 45.6 -128.8 4 23 A V S S+ 0 0 39 27,-2.8 55,-3.1 1,-0.2 56,-1.5 0.448 72.9 48.3-114.2 -10.8 12.6 47.6 -132.0 5 24 A V E -ab 32 60A 0 26,-1.0 28,-1.8 53,-0.2 2,-0.5 -0.997 69.2-155.7-132.3 136.0 16.4 47.4 -131.9 6 25 A G E -ab 33 61A 0 54,-2.3 56,-3.3 -2,-0.4 2,-0.6 -0.954 2.5-162.6-114.5 126.1 18.5 44.3 -131.2 7 26 A I E +ab 34 62A 0 26,-3.0 28,-3.2 -2,-0.5 2,-0.4 -0.939 16.4 175.9-106.7 117.3 22.0 44.6 -129.8 8 27 A I E -ab 35 63A 0 54,-2.9 56,-2.1 -2,-0.6 2,-0.3 -0.946 5.7-174.3-123.1 144.3 24.1 41.5 -130.3 9 28 A M E -ab 36 64A 3 26,-1.6 28,-2.7 -2,-0.4 56,-0.2 -0.975 33.6-119.8-137.3 151.5 27.7 40.9 -129.4 10 29 A G S S- 0 0 10 54,-2.0 2,-0.3 -2,-0.3 31,-0.1 0.787 85.1 -23.6 -59.8 -32.9 30.2 38.1 -129.9 11 30 A S S > S- 0 0 26 24,-0.1 3,-1.8 1,-0.1 4,-0.5 -0.982 70.9 -82.4-167.8 175.3 30.9 37.5 -126.2 12 31 A Q G > S+ 0 0 128 -2,-0.3 3,-1.4 1,-0.3 4,-0.5 0.821 120.1 66.5 -58.3 -31.6 30.8 38.7 -122.7 13 32 A S G 3 S+ 0 0 89 1,-0.3 3,-0.3 2,-0.2 -1,-0.3 0.721 95.5 56.8 -64.1 -20.9 34.2 40.3 -123.4 14 33 A D G X> S+ 0 0 11 -3,-1.8 4,-2.9 1,-0.2 3,-1.2 0.629 85.0 84.0 -84.5 -13.9 32.4 42.7 -125.8 15 34 A W H <> S+ 0 0 84 -3,-1.4 4,-2.5 -4,-0.5 5,-0.2 0.861 78.1 63.9 -57.3 -40.2 30.1 44.0 -123.1 16 35 A E H 34 S+ 0 0 115 -4,-0.5 -1,-0.3 -3,-0.3 -2,-0.1 0.827 116.7 32.4 -54.2 -29.7 32.5 46.5 -121.8 17 36 A T H X4 S+ 0 0 19 -3,-1.2 3,-1.3 -4,-0.2 4,-0.3 0.888 119.1 48.2 -92.7 -50.1 32.2 48.1 -125.2 18 37 A M H >X S+ 0 0 0 -4,-2.9 4,-1.9 1,-0.3 3,-1.3 0.675 91.1 79.8 -69.4 -17.3 28.6 47.4 -126.2 19 38 A R H 3X S+ 0 0 93 -4,-2.5 4,-2.8 1,-0.3 -1,-0.3 0.798 86.1 63.3 -59.8 -25.5 27.1 48.5 -122.9 20 39 A H H <> S+ 0 0 53 -3,-1.3 4,-1.6 2,-0.2 -1,-0.3 0.813 102.3 47.8 -69.0 -29.6 27.5 52.0 -124.3 21 40 A A H <> S+ 0 0 0 -3,-1.3 4,-2.3 -4,-0.3 -2,-0.2 0.910 112.0 50.2 -74.8 -43.3 25.0 51.2 -127.0 22 41 A D H X S+ 0 0 42 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.937 110.3 49.8 -58.8 -48.4 22.6 49.7 -124.5 23 42 A A H X S+ 0 0 56 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.898 110.1 49.9 -58.9 -43.9 22.9 52.8 -122.2 24 43 A L H X S+ 0 0 5 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.927 110.2 49.4 -63.6 -45.4 22.2 55.2 -125.1 25 44 A L H <>S+ 0 0 0 -4,-2.3 5,-2.8 1,-0.2 -1,-0.2 0.911 112.6 47.9 -60.8 -41.8 19.1 53.3 -126.3 26 45 A T H ><5S+ 0 0 82 -4,-2.2 3,-1.5 3,-0.2 -1,-0.2 0.908 108.5 55.6 -64.3 -41.1 17.7 53.3 -122.7 27 46 A E H 3<5S+ 0 0 116 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.894 111.5 42.5 -57.8 -42.2 18.5 57.0 -122.4 28 47 A L T 3<5S- 0 0 6 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.336 115.7-118.7 -87.6 7.5 16.4 57.7 -125.5 29 48 A E T < 5 + 0 0 137 -3,-1.5 -3,-0.2 1,-0.2 -2,-0.1 0.905 56.6 158.2 55.2 47.7 13.7 55.2 -124.3 30 49 A I < - 0 0 6 -5,-2.8 -1,-0.2 -6,-0.1 2,-0.1 -0.908 43.4-125.2-103.1 113.4 14.1 53.0 -127.3 31 50 A P + 0 0 51 0, 0.0 -27,-2.8 0, 0.0 -26,-1.0 -0.384 48.6 152.9 -59.3 128.8 12.8 49.4 -126.5 32 51 A H E -a 5 0A 38 -29,-0.3 2,-0.3 -28,-0.2 -26,-0.2 -0.961 40.2-128.1-153.4 169.1 15.5 46.9 -127.2 33 52 A E E -a 6 0A 45 -28,-1.8 -26,-3.0 -2,-0.3 2,-0.5 -0.925 15.2-153.4-121.5 147.5 17.1 43.6 -126.4 34 53 A T E +a 7 0A 47 -2,-0.3 2,-0.3 -28,-0.2 -26,-0.2 -0.973 26.9 161.4-126.1 116.8 20.7 42.9 -125.6 35 54 A L E -a 8 0A 69 -28,-3.2 -26,-1.6 -2,-0.5 2,-0.5 -0.877 39.5-122.4-135.6 164.1 22.1 39.5 -126.4 36 55 A I E +a 9 0A 63 -2,-0.3 2,-0.4 -28,-0.2 -26,-0.2 -0.930 35.3 166.6-106.5 126.0 25.3 37.5 -126.9 37 56 A V - 0 0 3 -28,-2.7 2,-0.6 -2,-0.5 3,-0.1 -0.964 20.9-153.4-141.9 120.7 25.5 35.7 -130.3 38 57 A S > - 0 0 6 -2,-0.4 4,-1.7 1,-0.1 8,-0.3 -0.866 6.8-155.9-101.0 123.8 28.7 34.3 -131.6 39 58 A A T 4 S+ 0 0 19 -2,-0.6 -1,-0.1 1,-0.2 8,-0.1 0.878 97.9 27.1 -62.4 -37.3 29.1 34.0 -135.4 40 59 A F T 4 S+ 0 0 132 2,-0.1 -1,-0.2 -3,-0.1 -2,-0.0 0.781 127.3 41.0 -98.1 -29.7 31.6 31.2 -135.0 41 60 A R T 4 S+ 0 0 168 1,-0.2 -2,-0.2 -31,-0.1 3,-0.1 0.776 132.1 22.8 -88.3 -29.2 30.7 29.5 -131.7 42 61 A T S X S+ 0 0 32 -4,-1.7 4,-1.9 1,-0.1 3,-0.3 -0.437 71.2 154.9-134.0 61.2 26.9 29.7 -132.2 43 62 A P H > S+ 0 0 61 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.851 76.8 49.4 -57.8 -38.1 26.4 30.0 -136.0 44 63 A D H > S+ 0 0 137 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.840 107.0 55.3 -72.5 -31.2 22.9 28.5 -135.9 45 64 A R H > S+ 0 0 134 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.905 111.0 46.4 -65.3 -39.7 21.8 30.9 -133.1 46 65 A L H X S+ 0 0 1 -4,-1.9 4,-3.0 -8,-0.3 5,-0.4 0.928 110.4 51.6 -67.3 -46.6 22.9 33.7 -135.4 47 66 A A H X S+ 0 0 6 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.936 114.6 43.4 -55.9 -48.7 21.1 32.3 -138.5 48 67 A D H X S+ 0 0 94 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.908 114.9 49.5 -64.6 -43.3 17.9 32.0 -136.5 49 68 A Y H X S+ 0 0 16 -4,-2.3 4,-0.8 -5,-0.2 -2,-0.2 0.957 116.8 39.5 -61.1 -52.6 18.3 35.4 -134.8 50 69 A A H >< S+ 0 0 0 -4,-3.0 3,-0.5 1,-0.2 4,-0.5 0.898 114.6 53.1 -65.2 -43.2 19.0 37.3 -138.0 51 70 A R H 3< S+ 0 0 128 -4,-2.5 4,-0.3 -5,-0.4 -1,-0.2 0.852 117.7 36.3 -61.8 -37.2 16.4 35.4 -140.2 52 71 A T H 3X S+ 0 0 26 -4,-1.8 4,-2.1 -5,-0.2 -1,-0.2 0.439 88.3 98.8 -98.0 -1.1 13.6 36.0 -137.7 53 72 A A T <<>S+ 0 0 0 -4,-0.8 5,-2.2 -3,-0.5 4,-0.2 0.916 85.2 45.6 -51.8 -52.7 14.5 39.6 -136.6 54 73 A A T >45S+ 0 0 54 -4,-0.5 3,-1.7 1,-0.2 -1,-0.2 0.915 111.5 52.4 -59.4 -45.8 12.1 41.3 -139.0 55 74 A E T 345S+ 0 0 155 -4,-0.3 -1,-0.2 1,-0.3 -2,-0.2 0.869 105.1 56.3 -58.0 -39.8 9.2 39.0 -138.1 56 75 A R T 3<5S- 0 0 94 -4,-2.1 -1,-0.3 1,-0.1 -2,-0.2 0.470 124.8-102.4 -73.8 -1.4 9.8 39.7 -134.4 57 76 A G T < 5 + 0 0 36 -3,-1.7 -3,-0.2 1,-0.3 -2,-0.1 0.535 69.5 149.8 94.4 5.5 9.3 43.4 -135.0 58 77 A L < - 0 0 4 -5,-2.2 -1,-0.3 -6,-0.2 -53,-0.2 -0.469 22.9-177.4 -72.6 146.8 13.0 44.5 -134.9 59 78 A N + 0 0 31 -55,-3.1 2,-0.3 1,-0.4 -54,-0.2 0.677 67.3 19.9-113.0 -33.1 13.8 47.5 -137.1 60 79 A V E -b 5 0A 0 -56,-1.5 -54,-2.3 21,-0.1 2,-0.4 -0.996 61.7-152.8-141.5 144.6 17.6 47.8 -136.6 61 80 A I E -bc 6 83A 0 21,-2.0 23,-3.0 -2,-0.3 2,-0.6 -0.976 3.8-162.1-120.5 130.8 20.3 45.5 -135.4 62 81 A I E -bc 7 84A 0 -56,-3.3 -54,-2.9 -2,-0.4 2,-0.4 -0.967 15.7-174.8-111.1 120.3 23.5 46.7 -133.8 63 82 A A E -bc 8 85A 0 21,-3.0 23,-2.9 -2,-0.6 2,-0.4 -0.969 5.6-176.1-122.8 132.6 26.2 44.0 -133.8 64 83 A G E +bc 9 86A 0 -56,-2.1 -54,-2.0 -2,-0.4 2,-0.3 -0.980 14.6 143.4-129.8 139.9 29.6 44.2 -132.2 65 84 A A E - c 0 87A 8 21,-1.6 23,-2.4 -2,-0.4 2,-0.3 -0.973 29.8-131.2-163.5 162.2 32.6 41.8 -132.3 66 85 A G E + c 0 88A 30 -2,-0.3 2,-0.3 21,-0.2 4,-0.2 -0.822 63.8 10.4-124.2 164.0 36.4 41.8 -132.3 67 86 A G S S+ 0 0 14 21,-0.5 2,-2.4 -2,-0.3 34,-0.3 -0.608 134.1 8.9 76.6-133.2 39.3 40.2 -134.2 68 87 A A S S- 0 0 66 -2,-0.3 2,-1.1 33,-0.1 -2,-0.1 -0.616 93.2-167.9 -78.5 81.1 38.0 38.4 -137.3 69 88 A A + 0 0 2 -2,-2.4 4,-0.3 28,-0.3 -2,-0.1 -0.649 28.4 153.3 -82.6 96.3 34.6 40.0 -136.6 70 89 A H > + 0 0 105 -2,-1.1 4,-2.8 -4,-0.2 5,-0.4 0.552 46.0 94.8 -99.1 -10.3 32.1 38.3 -138.8 71 90 A L H > S+ 0 0 2 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.906 87.2 43.3 -50.6 -53.2 29.0 38.8 -136.6 72 91 A P H > S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.951 117.1 45.8 -60.6 -48.9 27.8 42.0 -138.3 73 92 A G H > S+ 0 0 9 -4,-0.3 4,-1.3 1,-0.2 -2,-0.2 0.909 114.6 45.4 -61.2 -46.1 28.3 40.8 -141.8 74 93 A M H X S+ 0 0 80 -4,-2.8 4,-0.8 2,-0.2 -1,-0.2 0.836 111.0 54.3 -69.1 -30.9 26.8 37.4 -141.4 75 94 A C H >X S+ 0 0 0 -4,-1.9 3,-1.2 -5,-0.4 4,-1.1 0.950 108.6 49.0 -65.3 -45.5 23.8 38.9 -139.5 76 95 A A H 3< S+ 0 0 3 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.787 101.3 66.1 -62.9 -27.5 23.3 41.2 -142.5 77 96 A A H 3< S+ 0 0 38 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.804 110.0 35.1 -64.5 -29.5 23.5 38.1 -144.8 78 97 A W H << S+ 0 0 81 -3,-1.2 2,-0.3 -4,-0.8 -1,-0.2 0.541 112.8 61.5-102.6 -11.6 20.2 36.7 -143.3 79 98 A T < - 0 0 4 -4,-1.1 -28,-0.1 2,-0.1 4,-0.1 -0.878 57.1-153.2-120.8 153.7 18.2 39.9 -142.6 80 99 A R S S+ 0 0 65 -2,-0.3 212,-0.1 -30,-0.2 -1,-0.1 0.511 72.0 104.4 -93.1 -10.0 16.8 42.6 -144.8 81 100 A L S S- 0 0 19 -31,-0.2 2,-0.2 1,-0.1 -21,-0.1 -0.320 88.4 -91.7 -70.9 154.3 17.0 45.0 -141.8 82 101 A P - 0 0 1 0, 0.0 -21,-2.0 0, 0.0 2,-0.5 -0.479 42.8-156.1 -67.1 132.7 19.7 47.6 -141.6 83 102 A V E -c 61 0A 2 27,-0.3 29,-2.5 -2,-0.2 2,-0.4 -0.964 5.6-162.6-117.3 126.7 22.7 46.2 -139.7 84 103 A L E -cd 62 112A 1 -23,-3.0 -21,-3.0 -2,-0.5 2,-0.4 -0.897 11.7-148.3-107.7 134.8 25.1 48.5 -137.9 85 104 A G E -cd 63 113A 0 27,-2.6 29,-2.6 -2,-0.4 -21,-0.2 -0.880 10.1-162.8-113.2 137.8 28.5 47.2 -136.9 86 105 A V E -c 64 0A 0 -23,-2.9 -21,-1.6 -2,-0.4 2,-0.6 -0.949 16.3-143.1-115.2 113.8 30.7 48.1 -134.0 87 106 A P E -c 65 0A 0 0, 0.0 30,-2.8 0, 0.0 2,-0.3 -0.658 19.2-144.3 -76.9 116.2 34.4 47.0 -134.3 88 107 A V E -c 66 0A 7 -23,-2.4 -21,-0.5 -2,-0.6 2,-0.3 -0.642 25.0-104.4 -82.5 138.6 35.5 46.0 -130.8 89 108 A E - 0 0 114 -2,-0.3 2,-0.2 -23,-0.1 5,-0.1 -0.452 37.9-148.4 -64.7 123.7 39.0 46.8 -129.9 90 109 A S > - 0 0 20 -2,-0.3 4,-0.9 1,-0.1 6,-0.1 -0.607 17.3-117.7 -92.5 156.1 41.2 43.7 -130.0 91 110 A R T 4 S+ 0 0 227 -2,-0.2 -1,-0.1 2,-0.2 -2,-0.0 0.939 104.5 24.8 -59.0 -54.5 44.2 43.1 -127.8 92 111 A A T 4 S+ 0 0 82 1,-0.2 -1,-0.1 2,-0.0 -3,-0.0 0.973 132.0 31.6 -78.9 -57.4 46.9 42.9 -130.4 93 112 A L T >4 S- 0 0 103 1,-0.0 3,-2.2 2,-0.0 -1,-0.2 0.279 96.5-128.3 -89.9 12.3 45.7 44.9 -133.4 94 113 A K T 3< S- 0 0 123 -4,-0.9 -3,-0.1 1,-0.3 -5,-0.1 0.743 71.0 -51.2 49.6 33.3 43.6 47.4 -131.5 95 114 A G T 3> S+ 0 0 0 -7,-0.1 4,-3.1 21,-0.0 -1,-0.3 0.471 109.9 114.8 88.7 0.0 40.5 46.8 -133.6 96 115 A M H <> S+ 0 0 67 -3,-2.2 4,-2.2 2,-0.2 5,-0.2 0.880 84.3 45.3 -70.4 -36.0 42.1 47.3 -137.0 97 116 A D H > S+ 0 0 43 2,-0.2 4,-2.1 1,-0.2 -28,-0.3 0.926 114.1 49.7 -69.3 -41.9 41.3 43.6 -137.7 98 117 A S H > S+ 0 0 0 -10,-0.2 4,-1.2 2,-0.2 -2,-0.2 0.932 112.1 48.6 -58.9 -48.2 37.8 44.2 -136.3 99 118 A L H >X S+ 0 0 0 -4,-3.1 4,-3.0 1,-0.2 3,-0.6 0.941 113.2 43.6 -59.6 -52.9 37.3 47.2 -138.4 100 119 A L H 3X S+ 0 0 67 -4,-2.2 4,-1.2 1,-0.2 -1,-0.2 0.855 110.6 56.8 -64.6 -33.3 38.5 45.7 -141.7 101 120 A S H 3< S+ 0 0 43 -4,-2.1 -1,-0.2 -34,-0.3 -2,-0.2 0.774 118.9 32.2 -67.3 -26.8 36.5 42.5 -141.1 102 121 A I H X< S+ 0 0 0 -4,-1.2 3,-0.5 -3,-0.6 -2,-0.2 0.877 120.3 42.9 -97.8 -48.6 33.3 44.6 -140.7 103 122 A V H 3< S+ 0 0 1 -4,-3.0 2,-0.8 1,-0.2 8,-0.2 0.824 96.8 73.3 -72.8 -32.4 33.5 47.6 -143.0 104 123 A Q T 3< + 0 0 82 -4,-1.2 -1,-0.2 -5,-0.4 -4,-0.1 0.025 63.7 153.1 -77.0 33.1 35.0 45.9 -146.1 105 124 A M < - 0 0 32 -2,-0.8 169,-0.3 -3,-0.5 177,-0.1 -0.378 45.2-119.7 -63.8 134.6 31.7 44.2 -147.1 106 125 A P > - 0 0 88 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 -0.273 46.1 -72.4 -69.8 162.9 31.4 43.5 -150.8 107 126 A G T 3 S+ 0 0 26 1,-0.2 172,-0.1 3,-0.0 171,-0.1 -0.290 115.3 43.2 -59.4 136.5 28.6 45.0 -152.8 108 127 A G T 3 S+ 0 0 0 170,-0.3 -1,-0.2 -3,-0.1 201,-0.1 -0.042 106.5 54.6 121.3 -33.7 25.2 43.4 -152.1 109 128 A V S < S- 0 0 28 -3,-1.3 -32,-0.1 2,-0.0 2,-0.1 -0.830 74.1-163.3-136.5 96.1 25.2 43.0 -148.3 110 129 A P - 0 0 13 0, 0.0 2,-0.3 0, 0.0 -27,-0.3 -0.387 15.9-172.4 -83.8 157.8 25.9 46.2 -146.4 111 130 A V - 0 0 1 -8,-0.2 2,-0.9 161,-0.1 -27,-0.2 -0.927 23.7-137.3-144.6 114.2 26.9 46.9 -142.8 112 131 A G E -d 84 0A 0 -29,-2.5 -27,-2.6 -2,-0.3 2,-0.3 -0.686 31.2-152.4 -76.0 110.0 26.9 50.5 -141.6 113 132 A T E -dE 85 272A 0 159,-2.7 159,-2.7 -2,-0.9 2,-0.2 -0.676 13.1-165.9 -94.2 139.6 30.1 50.6 -139.6 114 133 A L - 0 0 2 -29,-2.6 6,-0.2 -2,-0.3 149,-0.1 -0.546 38.6 -63.6-110.2 177.3 31.0 52.9 -136.7 115 134 A A - 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0 0 4 -169,-0.3 5,-0.2 -2,-0.2 -1,-0.2 -0.145 60.4 -88.5 -63.8 156.9 33.6 49.8 -147.7 275 135 B I S S- 0 0 28 -30,-0.1 3,-0.4 4,-0.1 4,-0.3 -0.422 89.0 -8.8 -64.3 134.5 36.3 51.7 -149.7 276 136 B G S >> S- 0 0 6 -30,-2.8 4,-1.7 1,-0.2 3,-0.6 -0.324 118.6 -12.7 85.1-160.7 35.3 52.2 -153.3 277 137 B A H 3> S+ 0 0 45 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.815 128.8 56.4 -52.2 -41.3 32.5 51.1 -155.6 278 138 B S H 3> S+ 0 0 48 -3,-0.4 4,-2.5 1,-0.2 -170,-0.3 0.899 107.8 49.9 -61.5 -39.3 31.3 48.3 -153.2 279 139 B G H <> S+ 0 0 0 -3,-0.6 4,-1.9 -4,-0.3 -2,-0.2 0.885 109.7 50.0 -66.6 -39.1 30.8 50.9 -150.5 280 140 B A H X S+ 0 0 0 -4,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.921 112.8 46.3 -66.1 -43.8 28.8 53.2 -152.8 281 141 B K H X S+ 0 0 67 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.929 114.6 48.1 -64.2 -43.1 26.5 50.4 -153.8 282 142 B N H X S+ 0 0 0 -4,-2.5 4,-2.7 -5,-0.2 -1,-0.2 0.787 104.6 58.9 -69.1 -26.8 26.1 49.3 -150.2 283 143 B A H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.910 108.6 46.7 -66.3 -39.9 25.4 52.8 -149.0 284 144 B A H X S+ 0 0 0 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.911 113.5 47.7 -66.9 -43.2 22.5 52.8 -151.4 285 145 B L H X S+ 0 0 5 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.879 112.0 49.4 -66.1 -38.4 21.3 49.4 -150.2 286 146 B L H X S+ 0 0 1 -4,-2.7 4,-1.5 2,-0.2 -2,-0.2 0.927 111.2 49.7 -66.5 -42.5 21.6 50.4 -146.6 287 147 B A H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 3,-0.2 0.912 110.7 51.4 -60.6 -41.7 19.6 53.6 -147.3 288 148 B A H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.909 107.4 51.5 -62.1 -42.2 17.1 51.4 -149.1 289 149 B S H < S+ 0 0 9 -4,-2.4 4,-0.4 1,-0.2 -1,-0.2 0.783 110.3 50.5 -66.9 -25.7 16.8 49.0 -146.0 290 150 B I H >< S+ 0 0 0 -4,-1.5 3,-0.9 -3,-0.2 4,-0.3 0.914 113.1 44.1 -75.9 -44.8 16.2 52.1 -143.8 291 151 B L H >< S+ 0 0 8 -4,-2.3 3,-1.5 1,-0.2 -2,-0.2 0.821 103.8 65.4 -68.8 -31.6 13.5 53.5 -146.1 292 152 B A G >< S+ 0 0 17 -4,-2.4 3,-0.8 1,-0.3 7,-0.3 0.714 84.1 77.2 -63.9 -20.3 11.9 50.0 -146.4 293 153 B L G < S+ 0 0 39 -3,-0.9 -1,-0.3 -4,-0.4 -2,-0.2 0.775 113.0 19.1 -61.9 -27.1 11.2 50.1 -142.7 294 154 B Y G < S+ 0 0 72 -3,-1.5 -1,-0.2 -4,-0.3 -2,-0.2 0.089 114.9 73.9-132.1 23.9 8.2 52.5 -143.4 295 155 B N <> - 0 0 66 -3,-0.8 4,-2.8 -4,-0.1 5,-0.2 -0.803 54.8-172.0-139.9 92.6 7.6 51.9 -147.1 296 156 B P H > S+ 0 0 108 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.869 86.5 52.9 -51.7 -45.0 5.9 48.5 -147.8 297 157 B A H > S+ 0 0 56 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.924 113.2 43.0 -60.2 -46.5 6.2 48.8 -151.5 298 158 B L H > S+ 0 0 3 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.898 109.2 58.4 -66.6 -40.4 10.0 49.5 -151.3 299 159 B A H X S+ 0 0 36 -4,-2.8 4,-2.3 -7,-0.3 -1,-0.2 0.895 107.4 48.4 -55.8 -40.1 10.3 46.7 -148.7 300 160 B A H X S+ 0 0 54 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.904 110.8 49.0 -67.4 -42.8 8.9 44.3 -151.3 301 161 B R H X S+ 0 0 67 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.897 112.8 48.5 -64.3 -39.3 11.2 45.5 -154.0 302 162 B L H X S+ 0 0 6 -4,-2.9 4,-2.9 2,-0.2 5,-0.2 0.910 109.7 51.6 -66.8 -42.3 14.2 45.2 -151.7 303 163 B E H X S+ 0 0 86 -4,-2.3 4,-2.6 -5,-0.2 -2,-0.2 0.912 111.6 48.0 -59.7 -43.0 13.2 41.7 -150.6 304 164 B T H X S+ 0 0 95 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.887 111.5 50.3 -64.7 -40.0 12.9 40.7 -154.3 305 165 B W H X S+ 0 0 29 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.920 113.2 44.8 -65.2 -45.6 16.3 42.3 -155.0 306 166 B R H X S+ 0 0 17 -4,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.907 113.4 50.6 -65.0 -43.1 18.0 40.4 -152.1 307 167 B A H X S+ 0 0 42 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.890 110.7 49.5 -62.5 -39.8 16.3 37.1 -153.0 308 168 B L H X S+ 0 0 110 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.893 107.6 53.9 -67.1 -40.0 17.4 37.5 -156.6 309 169 B Q H < S+ 0 0 53 -4,-2.1 4,-0.4 1,-0.2 3,-0.2 0.940 111.8 45.4 -59.0 -46.7 21.0 38.2 -155.6 310 170 B T H >< S+ 0 0 91 -4,-2.2 3,-1.1 1,-0.2 -2,-0.2 0.919 114.0 47.7 -62.7 -45.6 21.0 35.0 -153.5 311 171 B A H 3< S+ 0 0 84 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.708 105.9 61.2 -70.2 -19.5 19.4 32.9 -156.3 312 172 B S T 3< S+ 0 0 78 -4,-1.7 -1,-0.2 -3,-0.2 -2,-0.2 0.485 73.9 110.3 -87.9 -4.1 21.8 34.3 -158.9 313 173 B V S < S- 0 0 96 -3,-1.1 -3,-0.0 -4,-0.4 -4,-0.0 -0.599 70.7-123.9 -75.8 125.3 25.0 33.0 -157.3 314 174 B P - 0 0 100 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.249 5.6-137.7 -65.3 155.9 26.6 30.2 -159.4 315 175 B N S S+ 0 0 176 1,-0.2 -2,-0.0 2,-0.0 0, 0.0 0.722 84.0 20.4 -87.5 -23.5 27.2 26.8 -157.8 316 176 B S S S- 0 0 88 3,-0.0 -1,-0.2 0, 0.0 2,-0.1 -0.990 82.4-107.7-145.3 151.9 30.6 26.2 -159.4 317 177 B P - 0 0 98 0, 0.0 2,-1.6 0, 0.0 -2,-0.0 -0.423 36.9-105.9 -78.0 154.1 33.3 28.4 -161.0 318 178 B I 0 0 178 -2,-0.1 0, 0.0 1,-0.0 0, 0.0 -0.674 360.0 360.0 -80.3 92.4 34.0 28.4 -164.7 319 179 B T 0 0 166 -2,-1.6 -3,-0.0 0, 0.0 -1,-0.0 -0.047 360.0 360.0 -75.1 360.0 37.2 26.4 -164.4