==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 18-FEB-04 1UX1 . COMPND 2 MOLECULE: CYTIDINE DEAMINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR E.JOHANSSON,J.NEUHARD,M.WILLEMOES,S.LARSEN . 522 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19239.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 349 66.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 6.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 92 17.6 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 . 8 1.5 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 . 39 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 118 22.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.8 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 4 0 0 0 0 0 7 1 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 0 0 3 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 . 4 0 0 0 8 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 ANTIPARALLEL BRIDGES PER LADDER . 0 4 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 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 1 A M 0 0 100 0, 0.0 2,-0.3 0, 0.0 30,-0.0 0.000 360.0 360.0 360.0 98.2 54.3 1.0 92.9 2 2 A N >> - 0 0 86 1,-0.1 3,-2.2 4,-0.0 4,-0.9 -0.633 360.0-111.4 -82.1 140.3 55.3 3.8 90.7 3 3 A R H 3> S+ 0 0 85 -2,-0.3 4,-2.8 1,-0.3 5,-0.2 0.739 111.3 71.1 -40.4 -33.9 52.4 5.7 89.2 4 4 A Q H 3> S+ 0 0 97 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.875 98.7 48.2 -55.7 -38.9 53.1 4.4 85.7 5 5 A E H <> S+ 0 0 103 -3,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.906 111.8 48.3 -69.3 -40.8 51.9 0.9 86.7 6 6 A L H X S+ 0 0 0 -4,-0.9 4,-2.4 1,-0.2 -2,-0.2 0.896 110.0 53.3 -64.9 -39.0 48.8 2.2 88.3 7 7 A I H X S+ 0 0 11 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.895 104.9 54.9 -61.3 -41.0 48.1 4.3 85.2 8 8 A T H X S+ 0 0 64 -4,-1.9 4,-1.5 -5,-0.2 -1,-0.2 0.907 108.9 48.5 -58.7 -41.6 48.5 1.1 83.1 9 9 A E H X S+ 0 0 51 -4,-1.7 4,-2.9 1,-0.2 -2,-0.2 0.911 109.5 51.0 -64.9 -45.6 45.7 -0.4 85.3 10 10 A A H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.861 108.3 53.2 -61.3 -36.3 43.4 2.6 84.9 11 11 A L H X S+ 0 0 57 -4,-2.3 4,-0.6 2,-0.2 -1,-0.2 0.862 111.6 44.9 -68.3 -34.8 43.9 2.4 81.2 12 12 A K H >< S+ 0 0 100 -4,-1.5 3,-1.2 2,-0.2 4,-0.4 0.914 110.6 54.1 -72.4 -43.1 42.8 -1.3 81.1 13 13 A A H >< S+ 0 0 2 -4,-2.9 3,-1.7 1,-0.3 4,-0.3 0.849 99.3 64.5 -57.1 -36.9 39.9 -0.5 83.5 14 14 A R H >< S+ 0 0 30 -4,-1.8 3,-1.3 1,-0.3 -1,-0.3 0.804 92.3 61.8 -58.7 -32.2 38.8 2.1 81.0 15 15 A D T << S+ 0 0 116 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.676 95.9 60.5 -70.5 -15.5 38.1 -0.6 78.4 16 16 A M T < S+ 0 0 75 -3,-1.7 -1,-0.3 -4,-0.4 -2,-0.2 0.533 80.2 131.9 -85.9 -6.3 35.5 -2.2 80.7 17 17 A A < - 0 0 20 -3,-1.3 2,-0.7 -4,-0.3 26,-0.2 -0.086 49.1-154.0 -51.3 138.5 33.5 1.0 80.6 18 18 A Y B +a 43 0A 74 24,-2.4 26,-3.4 1,-0.1 3,-0.1 -0.832 42.8 137.1-114.5 86.8 29.8 0.8 79.9 19 19 A A > + 0 0 9 -2,-0.7 4,-2.4 24,-0.2 5,-0.2 -0.380 5.1 147.6-131.1 55.9 29.1 4.3 78.5 20 20 A P T 4 S+ 0 0 51 0, 0.0 -1,-0.1 0, 0.0 23,-0.0 0.695 75.1 50.3 -64.5 -19.0 26.8 3.7 75.5 21 21 A Y T 4 S+ 0 0 36 -3,-0.1 -2,-0.1 3,-0.1 25,-0.0 0.896 123.2 23.2 -89.3 -44.0 25.1 7.1 76.1 22 22 A S T 4 S- 0 0 26 2,-0.1 3,-0.1 263,-0.0 -1,-0.1 0.750 85.5-144.0 -92.2 -24.2 28.0 9.5 76.3 23 23 A K < + 0 0 159 -4,-2.4 2,-0.7 1,-0.2 -4,-0.0 0.700 62.0 126.5 66.5 17.4 30.5 7.4 74.4 24 24 A F - 0 0 23 -5,-0.2 2,-0.4 53,-0.0 -1,-0.2 -0.914 46.7-159.9-110.8 106.7 33.0 8.8 76.9 25 25 A Q - 0 0 66 -2,-0.7 53,-0.6 -3,-0.1 2,-0.4 -0.711 8.7-174.5 -92.5 135.7 35.0 6.1 78.7 26 26 A V E -C 77 0B 15 -2,-0.4 16,-1.2 51,-0.1 2,-0.3 -0.980 2.1-168.1-128.1 139.7 36.8 6.7 82.0 27 27 A G E -CD 76 41B 0 49,-2.7 49,-2.8 -2,-0.4 2,-0.3 -0.929 4.0-176.1-127.0 152.5 39.0 4.3 83.9 28 28 A A E -CD 75 40B 0 12,-2.4 12,-2.5 -2,-0.3 2,-0.4 -0.996 10.5-162.0-147.4 149.5 40.5 4.4 87.4 29 29 A A E -CD 74 39B 0 45,-2.5 45,-3.0 -2,-0.3 2,-0.5 -0.994 8.3-160.0-136.7 127.6 42.9 2.3 89.5 30 30 A L E -CD 73 38B 0 8,-3.0 8,-2.7 -2,-0.4 2,-0.6 -0.924 4.9-154.1-112.0 129.3 43.1 2.5 93.3 31 31 A L E -CD 72 37B 2 41,-3.2 40,-2.5 -2,-0.5 41,-1.3 -0.894 10.4-148.8-106.1 120.8 46.1 1.2 95.2 32 32 A T E > -C 70 0B 2 4,-3.0 3,-1.8 -2,-0.6 38,-0.3 -0.297 31.0-104.4 -79.2 169.0 45.7 0.1 98.8 33 33 A K T 3 S+ 0 0 97 36,-1.7 37,-0.1 1,-0.3 -1,-0.1 0.859 123.3 54.9 -61.5 -35.3 48.4 0.4 101.5 34 34 A D T 3 S- 0 0 151 35,-0.3 -1,-0.3 2,-0.1 36,-0.1 0.329 124.6-104.0 -81.9 9.0 49.1 -3.3 101.2 35 35 A G S < S+ 0 0 38 -3,-1.8 2,-0.3 1,-0.3 -2,-0.1 0.597 71.9 143.5 83.2 11.5 49.7 -2.9 97.5 36 36 A K - 0 0 102 1,-0.0 -4,-3.0 2,-0.0 2,-0.4 -0.651 39.6-140.8 -86.2 142.9 46.4 -4.3 96.2 37 37 A V E -D 31 0B 41 -2,-0.3 2,-0.5 -6,-0.2 -6,-0.2 -0.880 12.6-166.6-110.2 134.6 44.9 -2.7 93.1 38 38 A Y E -D 30 0B 16 -8,-2.7 -8,-3.0 -2,-0.4 2,-0.2 -0.971 11.9-151.2-119.2 122.6 41.2 -2.0 92.4 39 39 A R E -D 29 0B 79 -2,-0.5 2,-0.3 -10,-0.2 -10,-0.2 -0.607 15.4-178.1 -90.9 151.3 40.0 -1.1 89.0 40 40 A G E +D 28 0B 1 -12,-2.5 -12,-2.4 -2,-0.2 2,-0.3 -0.992 8.2 179.3-148.2 152.9 37.0 1.0 88.2 41 41 A C E -D 27 0B 0 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.953 38.1 -91.9-146.5 163.4 35.1 2.3 85.2 42 42 A N - 0 0 13 -16,-1.2 -24,-2.4 -2,-0.3 2,-0.5 -0.591 34.0-163.9 -81.7 142.6 32.0 4.5 84.5 43 43 A I B -aB 18 52A 1 9,-2.7 9,-2.3 -2,-0.3 -24,-0.2 -0.956 11.1-159.3-129.9 109.7 28.7 2.6 84.1 44 44 A E - 0 0 9 -26,-3.4 2,-0.3 -2,-0.5 4,-0.1 -0.236 5.3-154.7 -87.3 175.3 25.9 4.5 82.6 45 45 A N - 0 0 5 3,-0.1 6,-0.2 1,-0.1 5,-0.1 -0.992 31.3-116.4-149.6 146.6 22.1 4.1 82.6 46 46 A A S S+ 0 0 3 -2,-0.3 2,-1.1 1,-0.2 474,-0.1 0.808 114.6 61.2 -53.3 -32.7 19.3 5.1 80.2 47 47 A A S > S- 0 0 3 472,-0.2 3,-2.5 1,-0.1 -1,-0.2 -0.797 89.9-150.1 -97.1 88.5 18.0 7.3 83.1 48 48 A Y G > S+ 0 0 18 -2,-1.1 3,-1.5 1,-0.3 266,-0.2 0.607 84.1 71.7 -32.0 -34.9 21.1 9.5 83.4 49 49 A S G 3 S+ 0 0 27 1,-0.2 -1,-0.3 264,-0.1 -3,-0.1 0.776 91.6 60.4 -61.5 -24.7 20.8 10.2 87.2 50 50 A M G < S+ 0 0 11 -3,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.548 74.3 129.7 -80.2 -8.0 21.9 6.6 88.0 51 51 A C < - 0 0 8 -3,-1.5 2,-0.4 -4,-0.2 -7,-0.2 -0.197 44.3-153.7 -53.8 130.6 25.3 6.9 86.3 52 52 A N B -B 43 0A 7 -9,-2.3 -9,-2.7 259,-0.0 2,-0.2 -0.919 12.5-133.8-110.3 132.3 28.3 5.7 88.4 53 53 A H > - 0 0 25 -2,-0.4 4,-2.8 -11,-0.2 5,-0.2 -0.469 17.3-115.7 -88.9 155.2 31.8 7.1 87.7 54 54 A A H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.893 113.4 52.3 -50.6 -49.7 35.1 5.3 87.4 55 55 A E H > S+ 0 0 8 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.917 114.0 43.4 -56.1 -45.6 36.7 6.9 90.5 56 56 A Q H > S+ 0 0 13 2,-0.2 4,-3.3 1,-0.2 5,-0.3 0.899 109.7 55.8 -69.0 -41.1 33.7 5.9 92.6 57 57 A T H X S+ 0 0 2 -4,-2.8 4,-2.1 1,-0.2 5,-0.2 0.944 110.3 46.1 -57.4 -46.7 33.5 2.4 91.2 58 58 A A H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.929 115.9 45.2 -61.3 -46.8 37.1 1.7 92.2 59 59 A L H X S+ 0 0 0 -4,-2.0 4,-2.5 -5,-0.2 -2,-0.2 0.897 113.3 49.4 -64.4 -42.3 36.7 3.2 95.6 60 60 A F H X S+ 0 0 7 -4,-3.3 4,-2.1 2,-0.2 -1,-0.2 0.811 108.9 52.3 -68.6 -33.1 33.4 1.3 96.3 61 61 A K H < S+ 0 0 6 -4,-2.1 4,-0.4 -5,-0.3 -1,-0.2 0.923 111.9 47.2 -68.0 -42.6 34.8 -2.0 95.2 62 62 A A H ><>S+ 0 0 0 -4,-1.8 5,-2.1 -5,-0.2 3,-1.8 0.979 114.4 45.0 -60.4 -58.7 37.7 -1.5 97.6 63 63 A V H ><5S+ 0 0 7 -4,-2.5 3,-1.5 1,-0.3 -1,-0.2 0.862 109.5 54.8 -54.2 -42.5 35.6 -0.5 100.6 64 64 A S T 3<5S+ 0 0 4 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.564 107.5 52.9 -71.2 -6.8 33.0 -3.3 100.0 65 65 A E T < 5S- 0 0 81 -3,-1.8 -1,-0.3 -4,-0.4 -2,-0.2 0.389 125.8-100.4-105.0 -1.9 35.9 -5.7 100.2 66 66 A G T < 5S+ 0 0 37 -3,-1.5 2,-0.7 -4,-0.3 -3,-0.2 0.407 82.5 128.6 98.8 -2.6 37.2 -4.4 103.5 67 67 A D < + 0 0 38 -5,-2.1 -1,-0.3 -6,-0.2 -2,-0.2 -0.797 13.7 149.7 -92.7 117.4 40.0 -2.3 102.1 68 68 A T + 0 0 86 -2,-0.7 2,-0.6 -3,-0.1 -1,-0.1 0.373 45.9 87.3-125.9 -0.1 39.8 1.3 103.5 69 69 A E + 0 0 122 28,-0.1 -36,-1.7 -6,-0.0 2,-0.3 -0.918 56.7 175.8-105.6 120.1 43.5 2.4 103.6 70 70 A F E +C 32 0B 4 -2,-0.6 -38,-0.2 -38,-0.3 28,-0.2 -0.859 27.7 178.7-126.5 159.7 44.7 3.9 100.3 71 71 A Q E S+ 0 0 69 -40,-2.5 31,-2.5 1,-0.3 2,-0.3 0.615 70.1 16.9-126.0 -30.5 47.9 5.5 99.0 72 72 A M E -Ce 31 102B 23 -41,-1.3 -41,-3.2 29,-0.2 2,-0.4 -0.999 48.5-167.9-152.5 145.5 47.2 6.3 95.3 73 73 A L E -Ce 30 103B 0 29,-2.7 31,-3.1 -2,-0.3 2,-0.4 -0.991 9.9-163.9-133.9 125.6 44.4 6.7 92.8 74 74 A A E -Ce 29 104B 0 -45,-3.0 -45,-2.5 -2,-0.4 2,-0.4 -0.904 5.6-172.5-112.2 138.4 44.9 7.0 89.0 75 75 A V E -Ce 28 105B 0 29,-2.4 31,-1.9 -2,-0.4 2,-0.3 -0.990 4.1-178.5-131.2 137.2 42.2 8.2 86.6 76 76 A A E +Ce 27 106B 0 -49,-2.8 -49,-2.7 -2,-0.4 2,-0.3 -0.998 10.4 154.4-142.3 140.5 42.3 8.2 82.8 77 77 A A E -C 26 0B 0 29,-0.9 2,-1.9 -2,-0.3 31,-0.3 -0.951 54.5 -91.8-152.7 164.4 40.1 9.4 79.9 78 78 A D S S+ 0 0 86 -53,-0.6 29,-0.1 -2,-0.3 -52,-0.0 -0.435 73.9 134.6 -84.2 66.6 40.5 10.4 76.3 79 79 A T - 0 0 6 -2,-1.9 29,-0.3 2,-0.3 30,-0.2 -0.772 68.8-109.2-113.4 158.3 40.9 14.2 76.9 80 80 A P S S+ 0 0 115 0, 0.0 27,-0.1 0, 0.0 3,-0.1 0.891 104.2 13.4 -50.9 -46.4 43.4 16.8 75.6 81 81 A G S S- 0 0 27 1,-0.2 -2,-0.3 25,-0.1 25,-0.1 -0.512 119.2 -43.9-118.3-170.3 45.1 17.1 78.9 82 82 A P S S- 0 0 44 0, 0.0 -1,-0.2 0, 0.0 25,-0.2 -0.282 74.5-100.0 -55.6 143.7 44.9 15.0 82.1 83 83 A V - 0 0 5 23,-1.8 -8,-0.1 -8,-0.3 30,-0.1 -0.383 32.2-134.1 -67.8 144.3 41.3 14.1 82.9 84 84 A S - 0 0 18 -3,-0.1 -1,-0.1 174,-0.1 173,-0.1 -0.892 16.0-128.3-104.5 115.6 39.6 16.2 85.5 85 85 A P - 0 0 1 0, 0.0 172,-0.4 0, 0.0 20,-0.0 -0.312 30.9-114.2 -58.5 140.1 37.6 14.4 88.2 86 86 A C > - 0 0 5 170,-0.1 4,-2.2 1,-0.1 3,-0.2 -0.262 27.7-103.2 -72.3 164.8 34.1 15.8 88.5 87 87 A G H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 133,-0.4 0.877 119.9 53.7 -55.9 -41.4 33.0 17.5 91.7 88 88 A A H > S+ 0 0 3 131,-0.5 4,-1.9 132,-0.2 -1,-0.2 0.887 109.9 48.0 -63.1 -40.3 31.0 14.6 93.0 89 89 A C H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.891 108.7 53.1 -68.4 -39.1 33.9 12.2 92.6 90 90 A R H X S+ 0 0 10 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.904 108.4 52.6 -61.7 -38.2 36.3 14.7 94.4 91 91 A Q H X S+ 0 0 0 -4,-2.1 4,-1.2 2,-0.2 -2,-0.2 0.928 110.3 45.7 -61.9 -47.3 33.8 14.7 97.2 92 92 A V H X S+ 0 0 3 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.862 112.8 52.3 -65.0 -35.2 33.7 10.9 97.5 93 93 A I H X S+ 0 0 2 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.897 106.7 51.9 -67.4 -40.4 37.5 10.9 97.3 94 94 A S H < S+ 0 0 33 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.764 113.6 46.0 -68.7 -23.3 37.8 13.5 100.1 95 95 A E H < S+ 0 0 35 -4,-1.2 -2,-0.2 -5,-0.2 -1,-0.2 0.881 121.6 32.0 -85.4 -43.2 35.6 11.3 102.3 96 96 A L H < S+ 0 0 25 -4,-2.3 2,-0.4 -5,-0.1 -2,-0.2 0.584 112.1 66.4 -93.9 -10.9 37.1 7.8 101.7 97 97 A C S < S- 0 0 8 -4,-1.9 -28,-0.1 -5,-0.2 -26,-0.1 -0.892 82.7-117.5-114.5 142.6 40.8 8.9 101.2 98 98 A T > - 0 0 73 -2,-0.4 3,-1.6 -28,-0.2 19,-0.3 -0.352 37.9-105.9 -68.0 157.6 43.1 10.4 103.7 99 99 A K T 3 S+ 0 0 152 1,-0.3 19,-1.2 18,-0.1 20,-0.2 0.610 117.4 59.6 -63.1 -10.8 44.3 13.9 102.8 100 100 A D T 3 S+ 0 0 93 16,-0.1 -1,-0.3 17,-0.1 -2,-0.0 0.574 73.2 119.8 -94.5 -12.0 47.7 12.5 101.8 101 101 A V < - 0 0 0 -3,-1.6 16,-1.6 1,-0.1 2,-0.5 -0.241 65.2-124.0 -54.4 139.2 46.6 10.0 99.1 102 102 A I E -eF 72 116B 53 -31,-2.5 -29,-2.7 14,-0.2 2,-0.6 -0.779 17.9-155.6 -93.1 127.9 48.1 10.9 95.7 103 103 A V E -eF 73 115B 0 12,-3.2 12,-2.0 -2,-0.5 2,-0.6 -0.915 6.9-163.7-105.9 117.6 45.8 11.5 92.8 104 104 A V E -eF 74 114B 0 -31,-3.1 -29,-2.4 -2,-0.6 2,-0.4 -0.888 5.8-167.7-104.8 113.7 47.3 10.8 89.4 105 105 A L E +eF 75 113B 6 8,-3.5 8,-2.6 -2,-0.6 2,-0.3 -0.823 20.1 143.1-103.5 139.0 45.4 12.3 86.5 106 106 A T E -eF 76 112B 4 -31,-1.9 -23,-1.8 -2,-0.4 -29,-0.9 -0.893 30.1-143.5-156.0-175.6 46.2 11.4 82.9 107 107 A N - 0 0 3 4,-0.6 3,-0.3 -2,-0.3 -29,-0.2 -0.462 48.3 -75.7-135.6-152.1 44.8 10.7 79.4 108 108 A L S S+ 0 0 68 -29,-0.3 -30,-0.1 -31,-0.3 -32,-0.0 0.216 119.4 56.0-102.5 16.0 45.6 8.3 76.5 109 109 A Q S S- 0 0 149 -30,-0.2 -1,-0.2 2,-0.1 -31,-0.0 0.134 116.1 -93.4-133.6 21.6 48.6 10.3 75.3 110 110 A G S S+ 0 0 60 -3,-0.3 2,-0.5 1,-0.3 -2,-0.1 0.566 71.9 142.7 82.5 8.6 51.0 10.4 78.3 111 111 A Q - 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0 0 73 -2,-0.3 3,-1.7 -28,-0.2 19,-0.3 -0.439 37.6-103.0 -76.3 156.3 17.9 -9.5 82.0 493 99 D K T 3 S+ 0 0 160 1,-0.3 19,-0.6 -2,-0.1 18,-0.2 0.558 118.8 54.9 -57.9 -7.5 14.1 -9.6 82.5 494 100 D D T 3 S+ 0 0 93 16,-0.1 -1,-0.3 17,-0.1 -29,-0.0 0.623 72.9 122.2-102.7 -15.9 14.4 -13.2 83.9 495 101 D V < - 0 0 1 -3,-1.7 16,-0.9 1,-0.1 2,-0.5 -0.173 62.8-125.0 -49.3 137.2 17.0 -12.6 86.7 496 102 D I E -wX 466 510H 54 -31,-2.5 -29,-2.6 14,-0.2 2,-0.7 -0.779 17.3-154.4 -93.1 125.8 15.6 -13.7 90.1 497 103 D V E -wX 467 509H 0 12,-3.2 12,-1.7 -2,-0.5 2,-0.7 -0.875 6.7-162.6-103.6 115.1 15.6 -11.1 92.9 498 104 D V E -wX 468 508H 0 -31,-3.3 -29,-2.4 -2,-0.7 2,-0.4 -0.858 6.7-168.9-101.4 113.5 15.7 -12.6 96.4 499 105 D L E +wX 469 507H 5 8,-3.4 8,-2.7 -2,-0.7 2,-0.3 -0.830 20.0 142.2-103.8 139.4 14.7 -10.2 99.1 500 106 D T E -wX 470 506H 2 -31,-1.8 -23,-1.8 -2,-0.4 -29,-0.9 -0.902 28.7-144.6-157.6-176.3 15.2 -11.0 102.8 501 107 D N E > -w 471 0H 4 4,-0.6 3,-0.5 -2,-0.3 -29,-0.2 -0.589 48.5 -70.4-139.3-158.9 16.1 -9.7 106.3 502 108 D L T 3 S+ 0 0 72 -31,-0.5 -30,-0.1 -29,-0.3 -32,-0.0 0.112 120.0 56.2 -91.4 20.6 17.9 -10.7 109.5 503 109 D Q T 3 S- 0 0 146 2,-0.2 -1,-0.2 -30,-0.1 3,-0.1 -0.022 114.8 -94.8-144.9 38.8 15.1 -13.1 110.4 504 110 D G S < S+ 0 0 62 -3,-0.5 2,-0.5 1,-0.2 -2,-0.1 0.385 72.6 143.6 68.1 -1.7 14.6 -15.7 107.6 505 111 D Q - 0 0 80 -31,-0.1 -4,-0.6 -30,-0.0 2,-0.4 -0.591 29.1-171.3 -74.6 122.7 11.7 -13.9 105.9 506 112 D I E +X 500 0H 64 -2,-0.5 2,-0.4 -6,-0.2 -6,-0.2 -0.959 17.7 177.4-125.4 133.9 12.1 -14.3 102.1 507 113 D K E -X 499 0H 108 -8,-2.7 -8,-3.4 -2,-0.4 2,-0.3 -0.995 13.1-163.5-130.1 134.4 10.3 -12.8 99.2 508 114 D E E +X 498 0H 87 -2,-0.4 2,-0.3 -10,-0.2 -10,-0.2 -0.918 17.1 151.3-122.7 146.4 11.2 -13.5 95.6 509 115 D M E -X 497 0H 21 -12,-1.7 -12,-3.2 -2,-0.3 2,-0.2 -0.985 36.3-107.8-166.2 161.1 10.4 -11.7 92.3 510 116 D T E > -X 496 0H 47 -2,-0.3 4,-1.7 -14,-0.2 3,-0.2 -0.501 38.2-103.3 -93.7 165.8 11.6 -11.0 88.8 511 117 D V H >> S+ 0 0 6 -16,-0.9 4,-2.1 -19,-0.3 3,-1.1 0.950 118.9 51.3 -50.2 -61.2 12.9 -7.7 87.4 512 118 D E H 34 S+ 0 0 85 -19,-0.6 -1,-0.2 1,-0.3 5,-0.1 0.838 110.6 49.4 -47.5 -40.9 9.7 -6.8 85.5 513 119 D E H 34 S+ 0 0 110 -3,-0.2 -1,-0.3 1,-0.2 -2,-0.2 0.829 108.8 54.9 -69.3 -30.5 7.6 -7.3 88.6 514 120 D L H << S+ 0 0 1 -4,-1.7 -2,-0.2 -3,-1.1 -1,-0.2 0.882 127.0 15.5 -69.7 -39.0 10.1 -5.2 90.5 515 121 D L S >< S- 0 0 3 -4,-2.1 3,-1.3 -5,-0.1 -1,-0.3 -0.694 82.7-144.6-142.8 86.5 9.7 -2.3 88.1 516 122 D P T 3 S- 0 0 45 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.259 80.9 -9.5 -54.1 120.6 6.6 -2.4 85.8 517 123 D G T 3 S- 0 0 41 1,-0.1 3,-0.1 -5,-0.1 -4,-0.0 0.891 91.6-155.2 56.1 44.4 7.2 -1.0 82.3 518 124 D A < - 0 0 24 -3,-1.3 2,-0.2 1,-0.1 -169,-0.1 -0.061 19.9-103.5 -51.3 146.8 10.6 0.4 83.3 519 125 D F + 0 0 17 -171,-0.4 2,-0.3 -173,-0.1 -472,-0.2 -0.500 55.8 174.7 -67.9 140.3 12.0 3.4 81.4 520 126 D S > - 0 0 32 -2,-0.2 3,-1.7 -474,-0.1 4,-0.3 -0.906 49.5 -89.9-147.0 175.6 14.7 2.1 79.1 521 127 D S G > S+ 0 0 46 -2,-0.3 3,-1.5 1,-0.3 4,-0.1 0.746 116.3 70.5 -58.7 -24.2 17.2 2.8 76.3 522 128 D E G > S+ 0 0 134 1,-0.3 3,-1.6 2,-0.2 -1,-0.3 0.844 89.9 60.7 -62.1 -33.3 14.5 2.0 73.8 523 129 D D G < S+ 0 0 44 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.564 95.6 60.4 -73.1 -8.1 12.7 5.2 74.8 524 130 D L G < 0 0 50 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.323 360.0 360.0 -97.7 5.4 15.7 7.2 73.7 525 131 D H < 0 0 214 -3,-1.6 -1,-0.2 -4,-0.1 -183,-0.0 -0.577 360.0 360.0 72.8 360.0 15.2 5.8 70.2