==== 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 2FW7 . COMPND 2 MOLECULE: N5-CARBOXYAMINOIMIDAZOLE RIBONUCLEOTIDE MUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ACETOBACTER ACETI; . AUTHOR C.M.STARKS,T.J.KAPPOCK . 320 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14244.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 230 71.9 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 . 21 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 119 37.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.2 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 0 0 0 4 0 2 0 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 0 156 0, 0.0 31,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -40.9 7.4 47.5 -124.6 2 21 A A - 0 0 70 1,-0.1 31,-0.1 29,-0.1 55,-0.0 -0.455 360.0 -98.4 -66.5 137.0 8.4 45.0 -127.2 3 22 A P + 0 0 38 0, 0.0 29,-0.3 0, 0.0 -1,-0.1 -0.287 37.8 178.3 -60.9 137.7 12.0 45.5 -128.3 4 23 A V S S+ 0 0 39 27,-2.8 55,-3.0 1,-0.2 56,-1.6 0.426 73.0 48.8-114.8 -10.0 12.6 47.4 -131.6 5 24 A V E -ab 32 60A 0 26,-1.0 28,-1.8 53,-0.2 2,-0.5 -0.999 69.4-156.4-132.6 134.7 16.4 47.3 -131.4 6 25 A G E -ab 33 61A 0 54,-2.2 56,-3.3 -2,-0.4 2,-0.6 -0.953 2.7-163.1-114.1 125.5 18.4 44.2 -130.7 7 26 A I E +ab 34 62A 0 26,-3.1 28,-3.2 -2,-0.5 2,-0.4 -0.938 16.4 174.8-106.9 118.6 21.9 44.5 -129.3 8 27 A I E -ab 35 63A 0 54,-2.8 56,-2.3 -2,-0.6 2,-0.3 -0.944 6.8-174.5-125.0 146.6 24.0 41.4 -129.8 9 28 A M E -ab 36 64A 3 26,-1.5 28,-2.6 -2,-0.4 56,-0.2 -0.978 33.3-120.2-139.6 151.1 27.6 40.8 -128.9 10 29 A G S S- 0 0 15 54,-1.8 2,-0.3 -2,-0.3 31,-0.1 0.731 85.8 -15.5 -63.3 -26.3 30.1 37.9 -129.5 11 30 A S S > S- 0 0 42 26,-0.1 3,-2.0 1,-0.1 4,-0.5 -0.990 70.7 -89.0-168.5 170.5 30.8 37.3 -125.8 12 31 A Q G > S+ 0 0 127 -2,-0.3 3,-1.5 1,-0.3 4,-0.5 0.828 119.2 66.9 -57.2 -32.8 30.7 38.6 -122.2 13 32 A S G 3 S+ 0 0 91 1,-0.3 3,-0.4 2,-0.2 -1,-0.3 0.735 94.8 57.1 -62.2 -22.6 34.1 40.2 -122.9 14 33 A D G X> S+ 0 0 11 -3,-2.0 4,-3.0 1,-0.2 3,-1.1 0.635 84.6 84.0 -82.6 -14.6 32.4 42.6 -125.3 15 34 A W H <> S+ 0 0 83 -3,-1.5 4,-2.6 -4,-0.5 5,-0.2 0.860 78.4 63.8 -56.3 -40.7 29.9 43.8 -122.6 16 35 A E H 34 S+ 0 0 116 -4,-0.5 -1,-0.3 -3,-0.4 -2,-0.1 0.851 116.5 32.3 -52.8 -33.7 32.4 46.4 -121.3 17 36 A T H X4 S+ 0 0 19 -3,-1.1 3,-1.2 -4,-0.2 4,-0.3 0.899 119.9 48.0 -89.4 -49.5 32.1 48.0 -124.7 18 37 A M H >X S+ 0 0 0 -4,-3.0 4,-1.7 1,-0.2 3,-1.3 0.679 90.6 79.8 -69.8 -17.9 28.5 47.2 -125.7 19 38 A R H 3X S+ 0 0 95 -4,-2.6 4,-2.6 1,-0.3 -1,-0.2 0.791 86.3 63.4 -59.8 -24.9 27.0 48.3 -122.4 20 39 A H H <> S+ 0 0 53 -3,-1.2 4,-1.5 -5,-0.2 -1,-0.3 0.821 101.6 48.6 -68.8 -30.7 27.4 51.9 -123.7 21 40 A A H <> S+ 0 0 0 -3,-1.3 4,-2.2 -4,-0.3 -2,-0.2 0.902 111.6 50.3 -73.2 -42.2 24.9 51.1 -126.5 22 41 A D H X S+ 0 0 41 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.930 109.9 49.7 -60.3 -47.7 22.5 49.6 -123.9 23 42 A A H X S+ 0 0 56 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.882 109.9 51.1 -60.5 -40.7 22.7 52.7 -121.7 24 43 A L H X S+ 0 0 5 -4,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.938 109.9 48.1 -64.9 -47.3 22.1 55.1 -124.6 25 44 A L H <>S+ 0 0 0 -4,-2.2 5,-2.9 1,-0.2 -1,-0.2 0.903 113.0 48.7 -60.9 -40.3 19.0 53.2 -125.8 26 45 A T H ><5S+ 0 0 82 -4,-2.2 3,-1.3 3,-0.2 -1,-0.2 0.893 108.3 55.1 -65.5 -39.1 17.6 53.1 -122.2 27 46 A E H 3<5S+ 0 0 117 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.898 112.1 42.4 -60.2 -41.2 18.4 56.8 -121.9 28 47 A L T 3<5S- 0 0 5 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.322 115.3-118.7 -88.6 8.0 16.3 57.6 -125.0 29 48 A E T < 5 + 0 0 138 -3,-1.3 -3,-0.2 1,-0.2 -2,-0.1 0.890 56.6 158.1 55.2 46.4 13.6 55.1 -123.8 30 49 A I < - 0 0 6 -5,-2.9 -1,-0.2 -6,-0.1 -2,-0.1 -0.899 43.5-124.1-102.2 114.5 14.0 52.8 -126.8 31 50 A P + 0 0 51 0, 0.0 -27,-2.8 0, 0.0 -26,-1.0 -0.371 48.9 152.4 -58.9 130.1 12.7 49.3 -126.0 32 51 A H E -a 5 0A 39 -29,-0.3 2,-0.4 -28,-0.2 -26,-0.2 -0.966 40.7-127.6-155.5 168.6 15.4 46.8 -126.8 33 52 A E E -a 6 0A 44 -28,-1.8 -26,-3.1 -2,-0.3 2,-0.5 -0.938 15.2-153.6-121.8 145.7 17.0 43.4 -126.0 34 53 A T E +a 7 0A 47 -2,-0.4 2,-0.3 -28,-0.2 -26,-0.2 -0.962 27.8 161.2-124.2 113.6 20.6 42.8 -125.1 35 54 A L E -a 8 0A 72 -28,-3.2 -26,-1.5 -2,-0.5 2,-0.5 -0.859 39.8-123.0-133.5 164.1 22.0 39.3 -125.9 36 55 A I E +a 9 0A 65 -2,-0.3 2,-0.4 -28,-0.2 -26,-0.2 -0.931 35.3 165.4-106.6 124.4 25.2 37.3 -126.4 37 56 A V - 0 0 2 -28,-2.6 2,-0.6 -2,-0.5 -26,-0.1 -0.940 20.9-154.4-142.7 115.1 25.4 35.6 -129.8 38 57 A S > - 0 0 9 -2,-0.4 4,-1.9 1,-0.2 8,-0.3 -0.820 7.9-160.1 -96.9 123.4 28.6 34.2 -131.1 39 58 A A T 4 S+ 0 0 16 -2,-0.6 -1,-0.2 1,-0.2 8,-0.1 0.879 97.2 34.3 -65.1 -37.8 29.0 33.9 -134.9 40 59 A N T 4 S+ 0 0 122 2,-0.1 -1,-0.2 1,-0.1 -2,-0.0 0.794 128.6 33.2 -88.6 -31.8 31.8 31.4 -134.4 41 60 A R T 4 S+ 0 0 215 1,-0.2 -2,-0.2 -31,-0.1 3,-0.1 0.744 131.8 27.1 -96.2 -29.5 30.6 29.5 -131.3 42 61 A T X + 0 0 30 -4,-1.9 4,-2.0 1,-0.1 3,-0.3 -0.421 68.3 154.3-130.7 61.3 26.9 29.7 -131.7 43 62 A P H > S+ 0 0 60 0, 0.0 4,-2.6 0, 0.0 5,-0.1 0.855 76.8 48.8 -56.4 -40.7 26.3 29.9 -135.5 44 63 A D H > S+ 0 0 137 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.842 108.1 54.7 -71.0 -31.4 22.8 28.4 -135.4 45 64 A R H > S+ 0 0 131 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.914 111.4 45.8 -65.3 -41.0 21.8 30.7 -132.6 46 65 A L H X S+ 0 0 1 -4,-2.0 4,-3.0 -8,-0.3 5,-0.4 0.933 110.6 52.3 -66.2 -47.1 22.9 33.6 -134.8 47 66 A A H X S+ 0 0 6 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.939 113.5 43.9 -54.1 -50.7 21.1 32.2 -137.9 48 67 A D H X S+ 0 0 93 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.905 114.8 49.8 -62.1 -43.7 17.9 31.9 -136.0 49 68 A Y H X S+ 0 0 14 -4,-2.3 4,-0.9 -5,-0.2 -2,-0.2 0.946 116.5 39.3 -61.3 -52.0 18.2 35.3 -134.4 50 69 A A H < S+ 0 0 0 -4,-3.0 4,-0.5 1,-0.2 3,-0.4 0.895 114.9 53.3 -66.4 -42.1 18.9 37.2 -137.6 51 70 A R H < S+ 0 0 130 -4,-2.5 4,-0.3 -5,-0.4 3,-0.2 0.877 117.7 35.5 -61.4 -40.6 16.4 35.2 -139.6 52 71 A T H X S+ 0 0 26 -4,-2.0 4,-2.1 -5,-0.2 -1,-0.2 0.458 88.5 100.2 -95.5 -2.7 13.5 35.9 -137.2 53 72 A A T <>S+ 0 0 0 -4,-0.9 5,-2.1 -3,-0.4 4,-0.2 0.903 84.8 44.5 -49.0 -53.6 14.5 39.4 -136.2 54 73 A A T >45S+ 0 0 54 -4,-0.5 3,-1.9 1,-0.2 -1,-0.2 0.922 111.8 52.6 -60.3 -46.3 12.0 41.2 -138.5 55 74 A E T 345S+ 0 0 157 -4,-0.3 -1,-0.2 1,-0.3 -2,-0.2 0.844 105.3 56.6 -58.1 -35.7 9.1 38.8 -137.6 56 75 A R T 3<5S- 0 0 94 -4,-2.1 -1,-0.3 -3,-0.1 -2,-0.2 0.454 124.4-102.8 -77.6 -0.5 9.8 39.5 -133.9 57 76 A G T < 5 + 0 0 36 -3,-1.9 -3,-0.2 1,-0.3 -2,-0.1 0.472 69.6 148.8 94.9 1.4 9.3 43.2 -134.5 58 77 A L < - 0 0 3 -5,-2.1 -1,-0.3 -6,-0.2 -53,-0.2 -0.438 23.2-177.3 -70.1 145.0 12.9 44.3 -134.4 59 78 A N + 0 0 37 -55,-3.0 2,-0.3 1,-0.4 -54,-0.2 0.705 67.8 19.7-110.2 -35.2 13.7 47.4 -136.6 60 79 A V E -b 5 0A 0 -56,-1.6 -54,-2.2 21,-0.1 2,-0.4 -0.992 62.9-151.8-139.3 144.6 17.5 47.7 -136.2 61 80 A I E -bc 6 83A 0 21,-2.1 23,-3.0 -2,-0.3 2,-0.6 -0.973 3.9-161.8-119.9 130.9 20.2 45.3 -135.0 62 81 A I E -bc 7 84A 0 -56,-3.3 -54,-2.8 -2,-0.4 2,-0.5 -0.964 14.7-174.1-111.2 119.2 23.4 46.5 -133.3 63 82 A A E -bc 8 85A 0 21,-3.0 23,-2.8 -2,-0.6 2,-0.4 -0.966 4.6-173.9-121.4 127.9 26.1 43.9 -133.4 64 83 A G E +bc 9 86A 0 -56,-2.3 -54,-1.8 -2,-0.5 2,-0.3 -0.946 16.0 143.6-122.2 140.8 29.5 44.1 -131.7 65 84 A A E - c 0 87A 9 21,-1.8 23,-2.6 -2,-0.4 2,-0.3 -0.974 28.5-137.4-165.7 159.0 32.5 41.8 -131.8 66 85 A G E + c 0 88A 30 -2,-0.3 2,-0.3 21,-0.2 4,-0.2 -0.778 63.0 12.6-123.8 168.7 36.3 41.9 -131.8 67 86 A G S S+ 0 0 16 21,-0.5 2,-2.4 -2,-0.3 34,-0.3 -0.533 133.6 9.2 71.4-133.4 39.2 40.2 -133.7 68 87 A A S S- 0 0 65 -2,-0.3 2,-1.1 32,-0.1 -2,-0.1 -0.588 92.3-165.6 -78.2 81.1 38.0 38.3 -136.7 69 88 A A + 0 0 2 -2,-2.4 4,-0.3 28,-0.3 -2,-0.1 -0.615 30.2 151.8 -80.3 98.6 34.6 39.9 -136.2 70 89 A H > + 0 0 104 -2,-1.1 4,-2.7 -4,-0.2 5,-0.3 0.537 47.7 92.0-101.8 -10.7 32.0 38.1 -138.3 71 90 A L H > S+ 0 0 2 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.918 88.0 42.8 -54.3 -52.3 28.9 38.7 -136.1 72 91 A P H > S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.948 117.4 45.8 -61.7 -48.0 27.7 41.9 -137.8 73 92 A G H > S+ 0 0 9 -4,-0.3 4,-1.3 1,-0.2 -2,-0.2 0.899 115.0 45.5 -62.2 -44.1 28.3 40.7 -141.4 74 93 A M H X S+ 0 0 81 -4,-2.7 4,-1.0 2,-0.2 -1,-0.2 0.875 110.9 54.0 -68.9 -35.8 26.7 37.3 -140.9 75 94 A C H >X S+ 0 0 0 -4,-2.2 3,-1.0 -5,-0.3 4,-0.9 0.952 109.1 49.0 -61.3 -46.0 23.8 38.9 -139.0 76 95 A A H 3< S+ 0 0 2 -4,-2.4 3,-0.2 1,-0.3 -1,-0.2 0.789 102.0 64.2 -62.5 -28.6 23.2 41.1 -142.1 77 96 A A H 3< S+ 0 0 40 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.813 109.8 37.6 -65.4 -29.6 23.4 38.1 -144.3 78 97 A W H << S+ 0 0 81 -3,-1.0 2,-0.3 -4,-1.0 -1,-0.2 0.506 112.9 58.8-100.1 -9.3 20.3 36.6 -142.8 79 98 A T < - 0 0 5 -4,-0.9 -28,-0.1 -3,-0.2 4,-0.1 -0.903 57.5-151.6-126.0 154.5 18.2 39.8 -142.2 80 99 A R S S+ 0 0 61 -2,-0.3 213,-0.1 -30,-0.2 -1,-0.1 0.548 72.7 103.3 -92.4 -11.9 16.7 42.6 -144.4 81 100 A L S S- 0 0 18 -31,-0.2 2,-0.2 1,-0.1 -21,-0.1 -0.284 88.9 -91.0 -70.0 155.4 16.9 44.9 -141.4 82 101 A P - 0 0 1 0, 0.0 -21,-2.1 0, 0.0 2,-0.5 -0.499 42.8-156.9 -68.2 131.8 19.6 47.5 -141.1 83 102 A V E -c 61 0A 2 27,-0.3 29,-2.5 -2,-0.2 2,-0.4 -0.959 4.6-162.3-115.0 127.3 22.6 46.1 -139.2 84 103 A L E -cd 62 112A 1 -23,-3.0 -21,-3.0 -2,-0.5 2,-0.4 -0.908 11.4-147.4-108.6 134.9 25.0 48.4 -137.4 85 104 A G E -cd 63 113A 0 27,-2.5 29,-2.6 -2,-0.4 -21,-0.2 -0.871 10.5-163.2-112.9 137.9 28.4 47.1 -136.4 86 105 A V E -c 64 0A 0 -23,-2.8 -21,-1.8 -2,-0.4 2,-0.6 -0.943 16.1-143.8-115.6 113.0 30.6 48.0 -133.5 87 106 A P E -c 65 0A 0 0, 0.0 30,-2.8 0, 0.0 2,-0.3 -0.656 18.8-144.3 -76.8 117.4 34.3 46.9 -133.7 88 107 A V E -c 66 0A 8 -23,-2.6 -21,-0.5 -2,-0.6 2,-0.2 -0.662 25.2-104.7 -83.6 138.0 35.4 45.9 -130.3 89 108 A E - 0 0 112 -2,-0.3 2,-0.2 -23,-0.1 5,-0.1 -0.441 37.8-148.1 -64.3 126.2 38.9 46.8 -129.4 90 109 A S > - 0 0 20 -2,-0.2 4,-0.8 1,-0.1 6,-0.1 -0.601 16.8-118.1 -93.9 158.8 41.1 43.7 -129.5 91 110 A R T 4 S+ 0 0 216 -2,-0.2 -1,-0.1 2,-0.1 3,-0.1 0.965 104.2 24.8 -60.7 -59.1 44.1 43.1 -127.3 92 111 A A T 4 S+ 0 0 79 1,-0.2 -1,-0.1 2,-0.0 -3,-0.0 0.975 132.0 31.8 -74.6 -57.3 46.9 42.9 -129.9 93 112 A L T >4 S- 0 0 103 1,-0.0 3,-2.1 2,-0.0 -1,-0.2 0.290 96.8-127.9 -90.2 11.5 45.7 44.8 -132.9 94 113 A K T 3< S- 0 0 127 -4,-0.8 -3,-0.1 1,-0.3 -5,-0.1 0.746 70.9 -52.1 50.9 32.0 43.6 47.4 -131.0 95 114 A G T 3> S+ 0 0 0 -7,-0.1 4,-2.8 -6,-0.0 -1,-0.3 0.533 109.3 115.5 87.3 4.3 40.5 46.8 -133.0 96 115 A M H <> S+ 0 0 67 -3,-2.1 4,-2.4 2,-0.2 5,-0.2 0.876 83.7 45.6 -73.4 -36.0 42.0 47.2 -136.5 97 116 A D H > S+ 0 0 44 2,-0.2 4,-2.3 1,-0.2 -28,-0.3 0.934 113.9 50.0 -68.6 -42.6 41.2 43.6 -137.2 98 117 A S H > S+ 0 0 0 -10,-0.2 4,-1.0 1,-0.2 -2,-0.2 0.933 112.3 48.3 -57.8 -48.3 37.8 44.1 -135.8 99 118 A L H >X S+ 0 0 0 -4,-2.8 4,-3.0 1,-0.2 3,-0.7 0.945 113.7 43.1 -59.9 -52.9 37.3 47.2 -137.9 100 119 A L H 3X S+ 0 0 66 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.883 110.9 56.3 -64.4 -36.4 38.4 45.7 -141.2 101 120 A S H 3< S+ 0 0 47 -4,-2.3 -1,-0.2 -34,-0.3 -2,-0.2 0.728 119.2 33.0 -66.1 -22.6 36.4 42.5 -140.6 102 121 A I H X< S+ 0 0 2 -4,-1.0 3,-0.7 -3,-0.7 -2,-0.2 0.863 119.5 43.5-100.2 -50.3 33.3 44.5 -140.2 103 122 A V H 3< S+ 0 0 2 -4,-3.0 2,-0.3 1,-0.2 8,-0.2 0.822 97.8 71.9 -71.0 -31.4 33.5 47.5 -142.5 104 123 A Q T 3< + 0 0 86 -4,-1.4 -1,-0.2 -5,-0.4 -4,-0.1 0.135 63.7 151.5 -77.0 25.3 34.8 45.9 -145.6 105 124 A M < - 0 0 31 -3,-0.7 170,-0.3 -2,-0.3 178,-0.1 -0.267 48.3-113.8 -56.3 137.9 31.6 44.1 -146.4 106 125 A P > - 0 0 79 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 -0.326 44.7 -76.2 -72.3 156.7 31.2 43.5 -150.2 107 126 A G T 3 S+ 0 0 26 1,-0.2 173,-0.1 3,-0.0 172,-0.1 -0.271 116.9 42.6 -54.5 132.5 28.5 45.2 -152.2 108 127 A G T 3 S+ 0 0 0 171,-0.3 -1,-0.2 -3,-0.1 202,-0.1 -0.025 106.7 56.7 121.6 -30.6 25.1 43.5 -151.6 109 128 A V S < S- 0 0 27 -3,-1.6 -32,-0.1 2,-0.0 174,-0.1 -0.801 75.3-163.4-136.1 91.0 25.2 43.0 -147.8 110 129 A P - 0 0 12 0, 0.0 2,-0.3 0, 0.0 -27,-0.3 -0.359 16.7-173.6 -80.7 156.0 25.8 46.2 -145.8 111 130 A V - 0 0 1 -8,-0.2 2,-0.9 162,-0.1 -27,-0.2 -0.925 24.1-137.1-143.9 114.1 26.8 46.8 -142.3 112 131 A G E -d 84 0A 0 -29,-2.5 -27,-2.5 -2,-0.3 2,-0.3 -0.668 31.6-152.8 -75.3 107.9 26.8 50.4 -141.0 113 132 A T E -dE 85 273A 0 160,-2.7 160,-2.8 -2,-0.9 2,-0.2 -0.661 13.6-167.2 -93.6 138.7 30.0 50.5 -139.1 114 133 A L - 0 0 2 -29,-2.6 6,-0.2 -2,-0.3 150,-0.1 -0.564 38.1 -63.7-110.8 177.3 30.9 52.8 -136.1 115 134 A A - 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0 0 4 -170,-0.3 5,-0.2 -2,-0.2 -1,-0.2 -0.126 61.2 -87.2 -63.1 157.8 33.5 49.7 -147.2 276 135 B I S S- 0 0 29 -30,-0.1 3,-0.5 4,-0.1 4,-0.2 -0.430 89.2 -10.2 -64.8 133.1 36.2 51.6 -149.1 277 136 B G S >> S- 0 0 6 -30,-2.7 4,-1.8 1,-0.2 3,-0.8 -0.316 118.9 -11.5 85.2-160.9 35.2 52.2 -152.7 278 137 B A H 3> S+ 0 0 45 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.818 128.8 56.9 -51.0 -40.4 32.4 51.0 -155.0 279 138 B S H 3> S+ 0 0 50 -3,-0.5 4,-2.4 1,-0.2 -171,-0.3 0.897 107.9 48.8 -61.4 -38.8 31.2 48.3 -152.6 280 139 B G H <> S+ 0 0 0 -3,-0.8 4,-2.0 -5,-0.2 -2,-0.2 0.890 109.8 51.1 -67.6 -39.6 30.7 50.9 -149.9 281 140 B A H X S+ 0 0 0 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.932 112.4 45.9 -63.0 -46.1 28.8 53.2 -152.2 282 141 B K H X S+ 0 0 69 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.919 114.5 48.3 -63.8 -42.7 26.5 50.4 -153.3 283 142 B N H X S+ 0 0 0 -4,-2.4 4,-2.8 -5,-0.2 -1,-0.2 0.791 104.5 59.0 -69.8 -26.8 26.0 49.3 -149.6 284 143 B A H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.921 109.2 45.5 -65.6 -41.4 25.3 52.8 -148.5 285 144 B A H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.915 114.2 48.1 -66.5 -43.5 22.4 52.8 -150.9 286 145 B L H X S+ 0 0 4 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.877 112.1 49.2 -65.5 -37.0 21.3 49.4 -149.7 287 146 B L H X S+ 0 0 1 -4,-2.8 4,-1.6 2,-0.2 -2,-0.2 0.935 110.8 50.1 -67.4 -44.4 21.6 50.4 -146.1 288 147 B A H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.904 110.4 51.4 -58.8 -41.3 19.5 53.6 -146.8 289 148 B A H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.909 107.2 51.9 -63.2 -42.2 16.9 51.4 -148.5 290 149 B S H < S+ 0 0 7 -4,-2.2 4,-0.4 2,-0.2 -1,-0.2 0.795 110.3 50.3 -65.7 -27.3 16.7 49.0 -145.5 291 150 B I H >< S+ 0 0 0 -4,-1.6 3,-1.3 2,-0.2 4,-0.2 0.953 113.2 43.7 -73.5 -50.8 16.1 52.0 -143.3 292 151 B L H >< S+ 0 0 12 -4,-2.5 3,-1.7 1,-0.3 4,-0.3 0.818 103.9 66.6 -62.8 -32.4 13.4 53.4 -145.5 293 152 B A G >< S+ 0 0 16 -4,-2.4 3,-0.6 1,-0.3 -1,-0.3 0.718 83.2 76.1 -62.5 -21.5 11.9 50.0 -145.9 294 153 B L G < S+ 0 0 40 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.723 113.8 19.6 -63.8 -21.3 11.0 50.0 -142.1 295 154 B Y G < S+ 0 0 69 -3,-1.7 -1,-0.2 -4,-0.2 -2,-0.2 0.164 114.3 73.2-134.8 17.1 8.1 52.4 -142.9 296 155 B N <> - 0 0 67 -3,-0.6 4,-2.8 -4,-0.3 5,-0.2 -0.806 55.5-172.0-136.0 90.7 7.5 51.8 -146.6 297 156 B P H > S+ 0 0 108 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.852 86.2 53.0 -50.0 -44.3 5.8 48.4 -147.3 298 157 B A H > S+ 0 0 55 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.941 113.2 42.7 -60.4 -48.5 6.2 48.8 -151.0 299 158 B L H > S+ 0 0 3 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.897 110.2 57.5 -64.4 -40.2 9.9 49.4 -150.8 300 159 B A H X S+ 0 0 35 -4,-2.8 4,-2.2 -7,-0.3 -1,-0.2 0.883 107.4 48.7 -57.7 -38.5 10.2 46.7 -148.2 301 160 B A H X S+ 0 0 55 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.902 111.4 48.7 -68.9 -40.8 8.8 44.3 -150.7 302 161 B R H X S+ 0 0 67 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.898 112.8 48.0 -65.8 -40.0 11.1 45.5 -153.5 303 162 B L H X S+ 0 0 4 -4,-3.0 4,-3.0 2,-0.2 5,-0.3 0.915 109.7 52.3 -66.1 -44.1 14.1 45.1 -151.2 304 163 B E H X S+ 0 0 87 -4,-2.2 4,-2.5 -5,-0.2 -2,-0.2 0.922 111.8 46.7 -57.2 -45.6 13.1 41.7 -150.0 305 164 B T H X S+ 0 0 94 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.887 112.2 51.2 -63.9 -39.8 12.8 40.6 -153.7 306 165 B W H X S+ 0 0 32 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.931 112.8 43.9 -63.8 -48.8 16.2 42.2 -154.4 307 166 B R H X S+ 0 0 17 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.910 113.6 52.0 -63.6 -42.3 18.0 40.4 -151.5 308 167 B A H X S+ 0 0 40 -4,-2.5 4,-2.3 -5,-0.3 -2,-0.2 0.904 110.0 48.2 -61.2 -42.9 16.3 37.1 -152.4 309 168 B L H X S+ 0 0 111 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.916 108.4 54.5 -64.7 -43.3 17.4 37.4 -156.0 310 169 B Q H < S+ 0 0 52 -4,-2.2 4,-0.4 1,-0.2 -2,-0.2 0.934 111.5 45.0 -55.1 -47.6 20.9 38.1 -155.0 311 170 B T H >< S+ 0 0 89 -4,-2.2 3,-0.9 1,-0.2 -1,-0.2 0.900 114.8 47.3 -63.7 -42.6 21.0 35.0 -152.9 312 171 B A H 3< S+ 0 0 83 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.710 105.7 61.3 -73.1 -20.3 19.4 32.8 -155.6 313 172 B S T 3< S+ 0 0 78 -4,-2.0 -1,-0.2 -3,-0.2 -2,-0.2 0.509 73.4 111.5 -86.3 -6.2 21.7 34.2 -158.2 314 173 B V S < S- 0 0 96 -3,-0.9 -3,-0.0 -4,-0.4 -4,-0.0 -0.558 71.6-122.5 -72.1 123.5 25.0 33.0 -156.7 315 174 B P - 0 0 99 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.248 6.9-137.0 -63.6 154.4 26.5 30.2 -158.8 316 175 B N S S+ 0 0 174 1,-0.2 -2,-0.0 2,-0.0 0, 0.0 0.735 83.7 20.5 -84.4 -24.8 27.1 26.8 -157.2 317 176 B S S S- 0 0 89 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 -0.989 82.4-105.5-144.8 153.4 30.5 26.3 -158.7 318 177 B P - 0 0 97 0, 0.0 2,-1.8 0, 0.0 -2,-0.0 -0.408 37.0-108.9 -75.7 153.0 33.3 28.4 -160.3 319 178 B I - 0 0 168 1,-0.2 2,-0.9 -2,-0.1 0, 0.0 -0.677 32.9-165.0 -82.3 88.8 33.8 28.3 -164.1 320 179 B T 0 0 121 -2,-1.8 -1,-0.2 1,-0.1 0, 0.0 0.108 360.0 360.0 -65.3 26.4 37.1 26.4 -163.8 321 180 B E 0 0 216 -2,-0.9 -1,-0.1 0, 0.0 0, 0.0 0.525 360.0 360.0 63.8 360.0 37.7 27.5 -167.4