==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 31-JUL-12 4B4K . COMPND 2 MOLECULE: N5-CARBOXYAMINOIMIDAZOLE RIBONUCLEOTIDE MUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ANTHRACIS; . AUTHOR R.OLIETE,J.POUS,S.RODRIGUEZ-PUENTE,C.ABAD-ZAPATERO,A.GUASCH . 1882 12 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 63885.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1458 77.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 253 13.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 0.7 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 . 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 . 153 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 202 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 764 40.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 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 8 3 13 0 10 0 0 12 2 2 10 0 0 2 10 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 12 0 0 35 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 PARALLEL BRIDGES PER LADDER . 7 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 2 0 0 0 0 3 2 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 2 A K 0 0 220 0, 0.0 2,-0.2 0, 0.0 55,-0.1 0.000 360.0 360.0 360.0 -65.0 2.6 -33.5 12.6 2 3 A S + 0 0 29 53,-0.1 29,-0.2 1,-0.1 3,-0.1 -0.458 360.0 177.9 -69.7 130.5 6.3 -32.9 11.7 3 4 A L S S+ 0 0 41 27,-2.4 55,-3.8 -2,-0.2 56,-1.5 0.674 70.0 42.5-100.3 -29.1 7.1 -30.6 8.7 4 5 A V E -ab 31 59A 0 26,-1.3 28,-1.8 53,-0.2 2,-0.5 -0.959 67.5-151.5-123.9 140.7 10.8 -30.7 8.9 5 6 A G E -ab 32 60A 0 54,-2.1 56,-3.3 -2,-0.4 2,-0.6 -0.960 8.1-164.2-112.3 123.9 13.2 -33.6 9.6 6 7 A V E +ab 33 61A 0 26,-3.4 28,-2.4 -2,-0.5 2,-0.3 -0.944 20.4 169.0-110.6 114.3 16.5 -32.7 11.3 7 8 A I E +ab 34 62A 0 54,-2.9 56,-2.2 -2,-0.6 2,-0.3 -0.879 13.2 175.5-128.4 158.7 19.1 -35.6 11.0 8 9 A M E -ab 35 63A 5 26,-1.4 28,-2.5 -2,-0.3 56,-0.2 -0.982 36.6-118.6-157.3 155.6 22.7 -36.1 11.6 9 10 A G S S+ 0 0 13 54,-0.9 2,-0.3 -2,-0.3 28,-0.1 0.687 90.8 18.1 -73.4 -21.4 25.2 -39.0 11.5 10 11 A S S > S- 0 0 20 26,-0.1 3,-1.2 1,-0.1 4,-0.3 -0.986 70.6-116.6-149.5 155.7 26.3 -39.0 15.2 11 12 A T G > S+ 0 0 15 -2,-0.3 3,-1.7 1,-0.3 4,-0.4 0.837 113.1 66.8 -63.3 -27.8 25.2 -37.8 18.6 12 13 A S G > S+ 0 0 52 1,-0.3 3,-0.6 2,-0.2 -1,-0.3 0.761 91.6 62.3 -64.0 -24.8 28.4 -35.6 18.6 13 14 A D G X> S+ 0 0 21 -3,-1.2 4,-2.8 1,-0.2 3,-1.2 0.610 81.1 83.7 -74.6 -11.7 26.9 -33.6 15.7 14 15 A W H <> S+ 0 0 31 -3,-1.7 4,-2.4 -4,-0.3 5,-0.2 0.893 77.0 67.2 -58.3 -38.6 24.1 -32.5 18.0 15 16 A E H <4 S+ 0 0 37 -3,-0.6 -1,-0.3 -4,-0.4 4,-0.2 0.834 113.7 32.1 -49.5 -34.4 26.2 -29.7 19.4 16 17 A T H X4 S+ 0 0 14 -3,-1.2 3,-1.0 -4,-0.2 4,-0.4 0.865 117.6 53.1 -90.5 -44.5 26.0 -28.2 16.0 17 18 A M H >X S+ 0 0 0 -4,-2.8 4,-1.3 1,-0.2 3,-0.5 0.658 89.6 76.3 -71.0 -18.0 22.5 -29.3 14.9 18 19 A K H 3X S+ 0 0 33 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.794 84.2 66.1 -64.3 -26.2 20.6 -28.0 17.9 19 20 A Y H <> S+ 0 0 69 -3,-1.0 4,-1.6 2,-0.2 -1,-0.2 0.906 100.9 48.7 -62.0 -42.1 20.8 -24.4 16.6 20 21 A A H <> S+ 0 0 0 -3,-0.5 4,-1.8 -4,-0.4 -1,-0.2 0.906 111.6 50.4 -60.5 -43.9 18.6 -25.4 13.7 21 22 A C H X S+ 0 0 0 -4,-1.3 4,-2.1 1,-0.2 -2,-0.2 0.800 105.5 55.7 -67.1 -31.1 16.2 -27.0 16.1 22 23 A D H X S+ 0 0 85 -4,-2.2 4,-3.0 2,-0.2 -1,-0.2 0.889 107.2 50.7 -66.3 -40.6 16.1 -23.9 18.4 23 24 A I H X S+ 0 0 6 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.926 110.0 48.9 -62.1 -43.9 15.0 -21.8 15.4 24 25 A L H <>S+ 0 0 0 -4,-1.8 5,-2.7 2,-0.2 -2,-0.2 0.904 113.3 47.3 -64.4 -41.8 12.2 -24.3 14.5 25 26 A D H ><5S+ 0 0 57 -4,-2.1 3,-2.0 3,-0.2 -2,-0.2 0.954 110.2 53.0 -60.6 -50.8 11.0 -24.2 18.1 26 27 A E H 3<5S+ 0 0 71 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.847 115.0 41.2 -55.2 -36.2 11.3 -20.4 18.1 27 28 A L T 3<5S- 0 0 20 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.278 111.3-120.4 -95.5 9.2 9.1 -20.3 14.9 28 29 A N T < 5 + 0 0 94 -3,-2.0 -3,-0.2 1,-0.2 -2,-0.1 0.877 58.7 151.6 54.0 43.7 6.7 -23.0 16.2 29 30 A I < - 0 0 4 -5,-2.7 -1,-0.2 -6,-0.1 2,-0.1 -0.931 46.3-125.0-104.0 122.2 7.4 -25.3 13.3 30 31 A P + 0 0 54 0, 0.0 -27,-2.4 0, 0.0 -26,-1.3 -0.456 42.4 162.6 -69.5 138.3 6.9 -29.0 14.2 31 32 A Y E -a 4 0A 37 -29,-0.2 2,-0.3 -28,-0.2 -26,-0.2 -0.948 32.4-135.5-149.9 166.6 9.9 -31.2 13.5 32 33 A E E -a 5 0A 39 -28,-1.8 -26,-3.4 -2,-0.3 2,-0.4 -0.941 14.2-155.6-126.0 149.6 11.6 -34.4 14.3 33 34 A K E +a 6 0A 109 -2,-0.3 2,-0.3 -28,-0.2 -26,-0.2 -0.993 21.9 162.3-127.3 130.7 15.3 -35.0 15.1 34 35 A K E -a 7 0A 83 -28,-2.4 -26,-1.4 -2,-0.4 2,-0.6 -0.984 41.8-115.9-147.7 157.7 17.1 -38.3 14.5 35 36 A V E +a 8 0A 60 -2,-0.3 2,-0.4 -28,-0.2 -26,-0.2 -0.877 40.0 167.5 -92.1 118.0 20.5 -39.8 14.2 36 37 A V - 0 0 0 -28,-2.5 2,-0.5 -2,-0.6 -26,-0.1 -0.962 18.2-158.1-135.9 113.1 20.7 -41.2 10.6 37 38 A S > - 0 0 10 -2,-0.4 4,-2.0 1,-0.1 8,-0.3 -0.871 13.3-159.3-101.7 120.5 24.2 -42.3 9.5 38 39 A A T 4 S+ 0 0 4 -2,-0.5 -1,-0.1 1,-0.2 8,-0.1 0.845 98.5 30.6 -60.1 -33.4 25.1 -42.5 5.8 39 40 A H T 4 S+ 0 0 16 2,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.727 127.7 36.5-101.9 -26.0 28.0 -44.8 6.6 40 41 A R T 4 S+ 0 0 117 1,-0.2 -2,-0.2 -31,-0.1 3,-0.1 0.667 133.2 22.8-101.2 -22.2 26.9 -46.6 9.7 41 42 A T S X S+ 0 0 55 -4,-2.0 4,-2.2 1,-0.1 5,-0.2 -0.399 72.9 154.5-136.5 58.6 23.1 -47.1 9.0 42 43 A P H > S+ 0 0 15 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.866 74.1 48.4 -58.3 -43.8 23.0 -46.8 5.1 43 44 A D H > S+ 0 0 86 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.902 111.3 51.3 -61.6 -43.7 19.8 -48.8 4.6 44 45 A Y H > S+ 0 0 91 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.881 106.7 54.6 -61.3 -41.7 18.1 -46.8 7.4 45 46 A M H X S+ 0 0 1 -4,-2.2 4,-2.4 -8,-0.3 -1,-0.2 0.898 109.1 47.7 -58.8 -44.2 19.1 -43.6 5.7 46 47 A F H X S+ 0 0 8 -4,-1.8 4,-3.1 2,-0.2 -2,-0.2 0.927 112.4 48.7 -62.2 -45.2 17.5 -44.8 2.4 47 48 A E H X S+ 0 0 116 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.854 111.4 50.3 -62.9 -38.5 14.3 -45.8 4.2 48 49 A Y H X S+ 0 0 8 -4,-2.8 4,-0.8 2,-0.2 -1,-0.2 0.907 115.1 42.9 -66.5 -43.9 14.2 -42.4 6.0 49 50 A A H >< S+ 0 0 0 -4,-2.4 3,-0.5 -5,-0.2 4,-0.5 0.936 112.5 52.9 -65.8 -49.3 14.7 -40.5 2.7 50 51 A E H 3< S+ 0 0 97 -4,-3.1 4,-0.3 1,-0.2 3,-0.3 0.882 116.8 37.1 -50.9 -46.9 12.2 -42.7 0.7 51 52 A T H 3X S+ 0 0 33 -4,-1.7 4,-2.6 -5,-0.2 -1,-0.2 0.551 86.4 98.6 -89.4 -10.6 9.4 -42.3 3.2 52 53 A A T <<>S+ 0 0 0 -4,-0.8 5,-2.0 -3,-0.5 4,-0.4 0.883 87.4 45.1 -45.3 -52.5 9.9 -38.6 4.2 53 54 A R T >45S+ 0 0 72 -4,-0.5 3,-1.7 -3,-0.3 -1,-0.2 0.930 112.9 49.3 -60.4 -50.5 7.2 -37.3 1.8 54 55 A E T 345S+ 0 0 170 -4,-0.3 -1,-0.2 1,-0.3 -2,-0.2 0.850 108.1 56.1 -54.8 -39.3 4.6 -40.0 2.7 55 56 A R T 3<5S- 0 0 93 -4,-2.6 -1,-0.3 1,-0.1 -2,-0.2 0.536 123.6-105.2 -73.2 -9.7 5.2 -39.2 6.4 56 57 A G T < 5 + 0 0 30 -3,-1.7 -3,-0.2 -4,-0.4 -2,-0.1 0.403 67.9 147.6 102.0 -1.0 4.4 -35.5 5.8 57 58 A L < - 0 0 3 -5,-2.0 -1,-0.3 -6,-0.2 -53,-0.2 -0.422 24.8-176.2 -68.9 143.2 7.8 -33.9 5.8 58 59 A K + 0 0 49 -55,-3.8 2,-0.3 1,-0.3 -54,-0.2 0.607 69.2 20.5-110.5 -23.4 8.3 -30.9 3.6 59 60 A V E -b 4 0A 0 -56,-1.5 -54,-2.1 21,-0.2 2,-0.4 -0.991 62.5-149.2-147.1 147.6 12.0 -30.2 4.2 60 61 A I E -bc 5 82A 0 21,-2.1 23,-3.1 -2,-0.3 2,-0.5 -0.987 4.7-162.6-121.5 131.9 15.0 -32.2 5.4 61 62 A I E -bc 6 83A 0 -56,-3.3 -54,-2.9 -2,-0.4 2,-0.4 -0.974 15.6-177.2-110.5 119.6 17.9 -30.6 7.3 62 63 A A E -bc 7 84A 0 21,-3.2 23,-2.7 -2,-0.5 2,-0.4 -0.974 8.6-164.7-124.7 128.9 21.0 -32.9 7.4 63 64 A G E +bc 8 85A 0 -56,-2.2 -54,-0.9 -2,-0.4 2,-0.3 -0.867 18.6 153.4-110.3 143.0 24.3 -32.2 9.1 64 65 A A E - c 0 86A 11 21,-1.9 23,-2.1 -2,-0.4 2,-0.3 -0.957 22.8-150.0-165.4 150.7 27.6 -34.1 8.5 65 66 A G + 0 0 33 -2,-0.3 2,-0.4 21,-0.2 4,-0.2 -0.818 62.3 6.9-123.9 160.4 31.4 -33.6 8.8 66 67 A G S S+ 0 0 10 21,-0.4 2,-2.0 -2,-0.3 34,-0.3 -0.586 136.6 10.4 74.4-124.3 34.5 -35.0 6.9 67 68 A A S S- 0 0 3 350,-1.4 2,-1.2 -2,-0.4 -2,-0.1 -0.680 92.3-166.3 -82.8 81.5 33.4 -37.0 3.9 68 69 A A + 0 0 2 -2,-2.0 4,-0.3 28,-0.3 -2,-0.1 -0.638 29.2 150.0 -80.0 95.3 29.9 -35.7 4.5 69 70 A H > + 0 0 2 -2,-1.2 4,-2.7 -4,-0.2 5,-0.3 0.579 45.9 89.5-102.8 -12.4 27.6 -37.9 2.4 70 71 A L H > S+ 0 0 4 1,-0.2 4,-2.0 2,-0.2 5,-0.3 0.930 89.4 44.2 -54.5 -55.3 24.4 -37.7 4.4 71 72 A P H > S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.931 117.5 46.2 -55.6 -45.2 22.8 -34.7 2.9 72 73 A G H > S+ 0 0 0 -4,-0.3 4,-1.4 2,-0.2 -2,-0.2 0.865 112.9 46.5 -67.2 -42.1 23.7 -35.8 -0.7 73 74 A M H < S+ 0 0 0 -4,-2.7 4,-0.5 2,-0.2 -1,-0.2 0.835 113.7 49.4 -71.2 -32.0 22.6 -39.4 -0.4 74 75 A V H >< S+ 0 0 0 -4,-2.0 3,-1.3 -5,-0.3 4,-0.5 0.920 109.7 52.6 -67.8 -44.7 19.3 -38.3 1.3 75 76 A A H >< S+ 0 0 1 -4,-2.4 3,-0.6 -5,-0.3 -2,-0.2 0.818 104.6 55.9 -60.1 -32.6 18.8 -35.8 -1.6 76 77 A A T 3< S+ 0 0 4 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.648 110.8 45.4 -73.9 -16.3 19.3 -38.5 -4.2 77 78 A K T < S+ 0 0 31 -3,-1.3 2,-0.3 -4,-0.5 -1,-0.2 0.345 116.5 37.6-110.8 1.8 16.5 -40.5 -2.6 78 79 A T < - 0 0 7 -3,-0.6 -1,-0.1 -4,-0.5 -28,-0.1 -0.979 60.3-144.6-148.7 150.5 13.8 -37.8 -2.1 79 80 A N + 0 0 4 -2,-0.3 210,-0.1 -3,-0.1 -4,-0.1 0.087 68.6 112.0-103.7 19.7 12.6 -34.8 -4.1 80 81 A L S S- 0 0 2 -31,-0.1 -21,-0.2 1,-0.1 -2,-0.1 -0.596 87.2 -91.1 -79.1 151.1 12.0 -32.8 -0.9 81 82 A P - 0 0 0 0, 0.0 -21,-2.1 0, 0.0 2,-0.5 -0.465 44.7-154.8 -62.6 138.1 14.4 -29.9 -0.5 82 83 A V E -c 60 0A 0 27,-0.2 29,-2.8 -23,-0.2 2,-0.5 -0.988 4.2-157.5-124.2 124.4 17.4 -31.0 1.4 83 84 A I E -cd 61 111A 0 -23,-3.1 -21,-3.2 -2,-0.5 2,-0.5 -0.892 9.0-153.6-105.1 123.9 19.5 -28.6 3.4 84 85 A G E -cd 62 112A 0 27,-2.3 29,-1.9 -2,-0.5 -21,-0.2 -0.873 5.2-163.4-105.6 123.3 23.1 -29.6 4.2 85 86 A V E -c 63 0A 0 -23,-2.7 -21,-1.9 -2,-0.5 2,-0.5 -0.904 16.6-140.4-104.5 112.2 24.9 -28.2 7.2 86 87 A P E -c 64 0A 0 0, 0.0 30,-3.1 0, 0.0 -21,-0.2 -0.613 17.4-144.2 -76.5 119.5 28.7 -28.8 7.0 87 88 A V - 0 0 14 -23,-2.1 2,-0.8 -2,-0.5 -21,-0.4 -0.556 25.6-103.9 -81.4 145.3 30.0 -29.7 10.5 88 89 A Q - 0 0 59 -2,-0.2 5,-0.1 -23,-0.1 -23,-0.1 -0.624 40.5-150.1 -76.2 109.4 33.4 -28.4 11.5 89 90 A S > - 0 0 17 -2,-0.8 4,-0.7 1,-0.1 6,-0.1 -0.355 16.4-117.9 -75.0 161.8 35.7 -31.3 11.2 90 91 A K T 4 S+ 0 0 204 2,-0.1 -1,-0.1 3,-0.1 3,-0.0 0.954 103.0 28.4 -69.1 -54.6 38.8 -31.6 13.4 91 92 A A T 4 S+ 0 0 78 1,-0.2 -1,-0.1 2,-0.0 -3,-0.0 0.958 132.3 28.5 -76.3 -52.2 41.7 -31.6 10.9 92 93 A L T >4 S- 0 0 63 475,-0.0 3,-2.3 1,-0.0 -1,-0.2 0.245 97.9-125.2 -99.5 12.7 40.3 -29.5 7.9 93 94 A N T 3< S- 0 0 48 -4,-0.7 -3,-0.1 1,-0.3 -5,-0.1 0.793 73.2 -49.5 49.7 39.0 37.9 -27.3 9.9 94 95 A G T 3> S+ 0 0 0 -7,-0.0 4,-2.9 21,-0.0 -1,-0.3 0.456 109.9 116.0 85.4 -0.5 34.9 -28.2 7.8 95 96 A L H <> S+ 0 0 54 -3,-2.3 4,-2.5 2,-0.2 5,-0.2 0.924 84.7 43.6 -63.6 -45.3 36.5 -27.6 4.4 96 97 A D H > S+ 0 0 1 2,-0.2 4,-2.4 1,-0.2 -28,-0.3 0.937 114.1 51.0 -61.5 -47.1 36.1 -31.3 3.6 97 98 A S H > S+ 0 0 0 -10,-0.2 4,-0.8 1,-0.2 -2,-0.2 0.916 111.8 48.6 -55.0 -46.6 32.6 -31.2 5.0 98 99 A L H >X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 3,-0.7 0.943 113.4 43.2 -62.1 -52.3 31.8 -28.1 2.8 99 100 A L H 3X S+ 0 0 2 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.883 111.1 55.7 -65.0 -37.4 33.1 -29.5 -0.5 100 101 A S H 3< S+ 0 0 0 -4,-2.4 -1,-0.2 -34,-0.3 -2,-0.2 0.686 118.5 34.2 -66.2 -23.6 31.6 -33.0 0.1 101 102 A I H X< S+ 0 0 0 -4,-0.8 3,-0.6 -3,-0.7 -2,-0.2 0.867 119.1 42.8 -97.2 -51.5 28.2 -31.4 0.5 102 103 A V H 3< S+ 0 0 2 -4,-2.7 169,-0.3 1,-0.2 2,-0.2 0.783 98.3 71.7 -74.6 -28.9 28.0 -28.4 -1.8 103 104 A Q T 3< + 0 0 18 -4,-1.4 278,-1.2 -5,-0.3 -1,-0.2 0.100 65.5 153.3 -81.2 28.4 29.6 -29.9 -5.0 104 105 A M < - 0 0 2 -3,-0.6 167,-0.3 -2,-0.2 175,-0.2 -0.236 44.4-113.5 -58.8 139.2 26.6 -32.2 -5.8 105 106 A P > - 0 0 50 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 -0.251 45.8 -68.8 -76.2 163.7 26.3 -33.0 -9.6 106 107 A G T 3 S+ 0 0 32 1,-0.2 170,-0.1 3,-0.0 169,-0.1 -0.296 120.2 35.5 -55.1 125.8 23.5 -31.9 -11.9 107 108 A G T 3 S+ 0 0 14 168,-0.3 -1,-0.2 -3,-0.1 199,-0.0 -0.057 108.1 63.5 121.2 -26.3 20.3 -33.6 -10.9 108 109 A V < - 0 0 2 -3,-1.9 -32,-0.1 2,-0.0 -33,-0.1 -0.669 67.3-170.7-134.2 77.9 20.6 -33.8 -7.2 109 110 A P - 0 0 0 0, 0.0 2,-0.4 0, 0.0 -27,-0.2 -0.331 7.7-168.4 -69.6 146.3 20.8 -30.4 -5.4 110 111 A V - 0 0 2 -8,-0.2 2,-0.9 159,-0.1 -27,-0.2 -0.986 23.9-132.2-130.8 126.0 21.6 -29.9 -1.8 111 112 A A E -d 83 0A 1 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7.8 570 96 D L H <> S+ 0 0 79 -3,-2.3 4,-2.4 2,-0.2 5,-0.2 0.909 84.4 45.5 -64.2 -43.1 40.4 -17.0 4.4 571 97 D D H > S+ 0 0 2 2,-0.2 4,-2.2 1,-0.2 -28,-0.3 0.935 114.1 50.2 -62.2 -44.4 36.7 -16.6 3.7 572 98 D S H > S+ 0 0 0 -10,-0.2 4,-1.0 2,-0.2 -2,-0.2 0.945 111.6 48.2 -56.9 -49.2 36.9 -13.0 5.0 573 99 D L H >X S+ 0 0 54 -4,-3.3 4,-3.0 1,-0.2 3,-0.9 0.948 113.3 44.4 -59.9 -52.5 39.8 -12.2 2.8 574 100 D L H 3X S+ 0 0 17 -4,-2.4 4,-1.2 1,-0.2 -1,-0.2 0.845 110.8 55.4 -64.1 -34.8 38.4 -13.5 -0.4 575 101 D S H 3< S+ 0 0 0 -4,-2.2 -1,-0.2 -34,-0.3 -2,-0.2 0.654 118.9 33.1 -70.5 -20.3 35.0 -11.9 0.2 576 102 D I H << S+ 0 0 0 -4,-1.0 3,-0.5 -3,-0.9 -2,-0.2 0.826 119.1 44.5-101.6 -46.6 36.6 -8.5 0.6 577 103 D V H < S+ 0 0 60 -4,-3.0 2,-1.1 1,-0.2 8,-0.2 0.847 96.7 72.3 -74.7 -32.7 39.6 -8.4 -1.7 578 104 D Q < + 0 0 63 -4,-1.2 -354,-1.6 -5,-0.3 -1,-0.2 -0.044 65.2 154.2 -79.8 36.3 38.1 -9.9 -4.9 579 105 D M - 0 0 26 -2,-1.1 3,-0.1 -3,-0.5 6,-0.1 -0.343 42.8-114.9 -67.2 143.6 36.0 -6.9 -5.8 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-4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.933 113.0 45.4 -63.7 -46.4 56.3 7.5 14.1 621 147 D R H X S+ 0 0 155 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.866 111.5 52.9 -64.9 -40.7 58.0 5.1 11.6 622 148 D E H X S+ 0 0 108 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.845 107.7 51.5 -63.6 -36.9 61.4 6.6 12.4 623 149 D A H X S+ 0 0 61 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.903 110.9 47.2 -68.5 -42.7 61.0 6.0 16.2 624 150 D I H X S+ 0 0 75 -4,-1.8 4,-2.9 2,-0.2 5,-0.2 0.905 111.0 53.0 -63.4 -40.6 60.0 2.3 15.6 625 151 D E H X S+ 0 0 97 -4,-2.0 4,-2.5 2,-0.2 5,-0.3 0.963 111.7 44.3 -60.0 -52.1 63.0 1.9 13.3 626 152 D K H X S+ 0 0 113 -4,-2.4 4,-2.1 1,-0.2 5,-0.3 0.892 114.3 52.2 -58.3 -40.9 65.4 3.3 15.9 627 153 D D H X S+ 0 0 117 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.899 113.2 41.5 -64.0 -44.7 63.6 1.1 18.6 628 154 D V H < S+ 0 0 110 -4,-2.9 -2,-0.2 2,-0.2 -1,-0.2 0.933 117.6 46.0 -71.4 -45.4 63.9 -2.2 16.6 629 155 D R H < S+ 0 0 156 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.851 124.5 32.1 -67.2 -38.2 67.5 -1.7 15.4 630 156 D E H < 0 0 114 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56,-0.2 -0.981 35.9-120.0-156.7 155.1 3.0 -1.9 55.3 641 10 E G S S+ 0 0 13 54,-1.0 2,-0.3 -2,-0.3 28,-0.1 0.717 91.5 17.5 -73.6 -23.0 1.9 -5.6 55.0 642 11 E S S > S- 0 0 32 26,-0.1 3,-1.2 1,-0.1 4,-0.2 -0.983 70.5-118.4-148.6 154.4 2.3 -6.6 58.7 643 12 E T G > S+ 0 0 102 -2,-0.3 3,-1.9 1,-0.3 4,-0.4 0.816 112.5 67.3 -63.2 -30.0 2.7 -5.1 62.2 644 13 E S G > S+ 0 0 81 1,-0.3 3,-0.8 2,-0.2 -1,-0.3 0.786 90.9 63.1 -59.6 -28.0 6.1 -6.8 62.4 645 14 E D G X> S+ 0 0 21 -3,-1.2 4,-2.7 1,-0.2 3,-1.2 0.614 80.4 84.8 -71.4 -12.4 7.2 -4.4 59.6 646 15 E W H <> S+ 0 0 92 -3,-1.9 4,-2.5 1,-0.3 -1,-0.2 0.863 76.7 66.4 -59.6 -36.4 6.6 -1.5 61.9 647 16 E E H <4 S+ 0 0 116 -3,-0.8 -1,-0.3 -4,-0.4 -2,-0.1 0.834 113.5 33.0 -52.6 -34.3 10.1 -1.9 63.4 648 17 E T H X4 S+ 0 0 15 -3,-1.2 3,-1.2 -4,-0.2 4,-0.4 0.889 118.5 51.2 -88.2 -46.0 11.4 -0.9 60.0 649 18 E M H >X S+ 0 0 0 -4,-2.7 4,-1.3 1,-0.2 3,-0.5 0.691 89.7 77.1 -71.2 -19.0 8.7 1.6 58.9 650 19 E K H 3X S+ 0 0 57 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.762 85.3 65.1 -63.6 -22.8 8.7 3.7 62.1 651 20 E Y H <> S+ 0 0 75 -3,-1.2 4,-1.9 2,-0.2 -1,-0.2 0.931 99.6 50.3 -65.3 -43.9 11.9 5.4 60.9 652 21 E A H <> S+ 0 0 0 -3,-0.5 4,-1.7 -4,-0.4 -1,-0.2 0.914 111.5 49.9 -56.7 -45.3 10.2 7.0 57.9 653 22 E C H X S+ 0 0 1 -4,-1.3 4,-2.5 1,-0.2 -1,-0.2 0.800 105.0 56.5 -64.5 -33.4 7.5 8.2 60.3 654 23 E D H X S+ 0 0 84 -4,-1.9 4,-2.9 2,-0.2 -1,-0.2 0.899 107.3 50.0 -65.4 -39.9 10.1 9.7 62.7 655 24 E I H X S+ 0 0 5 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.899 110.7 48.6 -64.0 -41.5 11.4 11.8 59.7 656 25 E L H <>S+ 0 0 0 -4,-1.7 5,-2.7 2,-0.2 4,-0.4 0.919 113.9 46.7 -66.4 -41.8 7.9 13.0 58.9 657 26 E D H ><5S+ 0 0 84 -4,-2.5 3,-1.2 3,-0.2 -2,-0.2 0.925 110.6 52.5 -61.9 -48.2 7.3 13.9 62.5 658 27 E E H 3<5S+ 0 0 104 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.875 114.7 42.3 -55.3 -40.0 10.6 15.7 62.7 659 28 E L T 3<5S- 0 0 23 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.414 111.8-120.4 -89.6 1.9 9.8 17.7 59.6 660 29 E N T < 5 + 0 0 145 -3,-1.2 -3,-0.2 -4,-0.4 -4,-0.1 0.884 58.9 152.0 59.5 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0.864 110.3 57.0 -64.5 -35.0 14.3 -7.3 43.4 732 101 E S H 3< S+ 0 0 0 -4,-2.5 -1,-0.2 -34,-0.3 -2,-0.2 0.731 118.7 31.9 -65.6 -24.8 10.5 -7.6 44.0 733 102 E I H X< S+ 0 0 0 -4,-1.1 3,-0.5 -3,-0.8 -2,-0.2 0.853 118.7 45.1-100.8 -49.2 10.1 -3.9 44.4 734 103 E V H 3< S+ 0 0 1 -4,-2.9 2,-0.9 1,-0.2 173,-0.3 0.837 97.2 71.4 -73.3 -31.4 12.7 -2.2 42.2 735 104 E Q T 3< + 0 0 17 -4,-1.3 282,-1.5 -5,-0.3 -1,-0.2 -0.002 65.3 152.3 -80.6 34.9 12.3 -4.2 39.0 736 105 E M < - 0 0 1 -2,-0.9 171,-0.3 -3,-0.5 179,-0.1 -0.314 44.3-113.3 -65.0 148.1 8.9 -2.8 38.0 737 106 E P > - 0 0 48 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 -0.357 45.8 -68.3 -81.2 162.1 8.1 -2.7 34.3 738 107 E G T 3 S+ 0 0 33 1,-0.2 174,-0.1 -2,-0.1 173,-0.1 -0.213 120.4 32.9 -51.4 130.9 7.8 0.3 32.0 739 108 E G T 3 S+ 0 0 13 172,-0.3 -1,-0.2 -3,-0.1 203,-0.0 -0.037 108.6 65.2 113.5 -28.9 4.6 2.2 33.0 740 109 E V < - 0 0 3 -3,-2.0 -32,-0.1 2,-0.0 -33,-0.1 -0.708 67.4-172.9-130.7 79.2 4.5 1.6 36.7 741 110 E P - 0 0 1 0, 0.0 2,-0.4 0, 0.0 -27,-0.2 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125 L G H X S+ 0 0 0 -4,-1.6 4,-1.8 -3,-0.2 -2,-0.2 0.898 114.4 45.3 -67.0 -42.0 48.0 0.4 34.6 1862 126 L L H X S+ 0 0 5 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.900 112.2 51.8 -65.7 -42.2 46.9 3.8 36.0 1863 127 L L H X S+ 0 0 1 -4,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.906 108.7 50.9 -63.5 -41.6 47.2 2.5 39.6 1864 128 L A H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.911 111.7 48.4 -59.3 -41.2 50.7 1.2 38.8 1865 129 L A H X S+ 0 0 0 -4,-1.8 4,-2.9 1,-0.2 -2,-0.2 0.900 109.0 52.7 -64.9 -41.4 51.5 4.7 37.5 1866 130 L Q H X S+ 0 0 1 -4,-2.6 4,-0.6 2,-0.2 -1,-0.2 0.866 108.3 51.4 -62.1 -38.7 50.0 6.3 40.6 1867 131 L I H >< S+ 0 0 2 -4,-2.2 3,-1.0 2,-0.2 4,-0.3 0.932 114.4 41.6 -63.9 -48.9 52.2 4.1 42.8 1868 132 L L H >X S+ 0 0 0 -4,-2.2 3,-1.7 1,-0.2 4,-1.4 0.881 109.4 62.8 -63.9 -37.2 55.3 5.1 40.9 1869 133 L G H 3< S+ 0 0 0 -4,-2.9 7,-0.2 1,-0.3 -1,-0.2 0.599 84.5 73.8 -64.6 -16.3 53.9 8.7 40.9 1870 134 L S T << S+ 0 0 0 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.723 118.3 17.9 -69.9 -22.0 54.1 8.9 44.7 1871 135 L F T <4 S+ 0 0 59 -3,-1.7 2,-0.6 -4,-0.3 -2,-0.2 0.441 118.0 69.3-125.0 -7.9 57.9 9.2 44.3 1872 136 L H X - 0 0 60 -4,-1.4 4,-1.8 1,-0.1 3,-0.5 -0.894 59.9-170.2-112.6 96.8 58.2 10.2 40.6 1873 137 L D H > S+ 0 0 94 -2,-0.6 4,-2.4 1,-0.2 5,-0.2 0.811 85.0 58.5 -56.4 -33.3 56.9 13.8 40.3 1874 138 L D H > S+ 0 0 109 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.902 106.2 46.5 -64.6 -42.8 57.1 13.6 36.5 1875 139 L I H > S+ 0 0 20 -3,-0.5 4,-1.9 2,-0.2 -2,-0.2 0.904 113.4 50.9 -65.4 -39.4 54.7 10.5 36.3 1876 140 L H H X S+ 0 0 6 -4,-1.8 4,-1.9 -7,-0.2 -2,-0.2 0.904 107.9 50.4 -63.6 -47.2 52.3 12.2 38.7 1877 141 L D H X S+ 0 0 88 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.862 109.0 53.7 -58.8 -38.2 52.2 15.4 36.7 1878 142 L A H X S+ 0 0 37 -4,-1.6 4,-2.4 1,-0.2 -2,-0.2 0.893 106.5 51.4 -64.8 -40.8 51.4 13.3 33.6 1879 143 L L H X S+ 0 0 4 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.881 110.6 49.1 -63.4 -39.1 48.5 11.6 35.4 1880 144 L E H X S+ 0 0 58 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.943 112.2 47.0 -64.5 -48.9 47.1 15.1 36.3 1881 145 L L H X S+ 0 0 116 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.882 112.5 50.8 -60.5 -40.1 47.4 16.4 32.8 1882 146 L R H X S+ 0 0 56 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.937 112.8 44.9 -63.4 -47.3 45.8 13.2 31.4 1883 147 L R H X S+ 0 0 37 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.821 111.5 53.0 -66.5 -35.4 42.8 13.5 33.8 1884 148 L E H X S+ 0 0 111 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.835 109.2 49.7 -68.1 -35.0 42.4 17.2 33.2 1885 149 L A H X S+ 0 0 59 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.882 111.3 48.1 -73.0 -38.9 42.3 16.6 29.4 1886 150 L I H X S+ 0 0 49 -4,-1.9 4,-2.4 2,-0.2 5,-0.2 0.897 111.0 53.1 -66.2 -36.8 39.6 13.8 29.8 1887 151 L E H X S+ 0 0 46 -4,-1.8 4,-2.6 2,-0.2 5,-0.2 0.953 111.4 43.6 -61.7 -52.7 37.7 16.2 32.1 1888 152 L K H X S+ 0 0 110 -4,-2.2 4,-2.8 1,-0.2 5,-0.4 0.908 113.5 53.3 -58.0 -44.1 37.7 19.0 29.5 1889 153 L D H X S+ 0 0 119 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.894 113.6 41.3 -61.3 -42.9 36.8 16.5 26.7 1890 154 L V H < S+ 0 0 17 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.905 118.5 45.0 -73.2 -43.5 33.8 15.1 28.6 1891 155 L R H < S+ 0 0 99 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.889 124.2 32.8 -69.5 -40.8 32.4 18.4 29.9 1892 156 L E H < 0 0 116 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.801 360.0 360.0 -87.9 -28.7 32.8 20.3 26.5 1893 157 L G < 0 0 91 -4,-1.8 -1,-0.2 -5,-0.4 -4,-0.1 -0.168 360.0 360.0 -60.4 360.0 32.1 17.3 24.2