==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 28-AUG-08 3EBV . COMPND 2 MOLECULE: CHINITASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES COELICOLOR; . AUTHOR V.VIGDOROVICH,U.A.RAMAGOPAL,R.TORO,S.K.BURLEY,S.C.ALMO,NEW . 293 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11005.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 204 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 47 16.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 1 0.3 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 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 82 28.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.0 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 1 0 1 0 0 1 1 2 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 0 2 4 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 . 0 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 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 2 A S 0 0 71 0, 0.0 5,-0.2 0, 0.0 29,-0.2 0.000 360.0 360.0 360.0 170.9 26.1 17.4 108.1 2 3 A L + 0 0 70 1,-0.1 3,-0.3 3,-0.1 28,-0.1 0.926 360.0 56.4 -69.2 -40.8 27.7 16.4 111.4 3 4 A K S S+ 0 0 128 1,-0.3 2,-0.6 263,-0.0 -1,-0.1 0.894 123.0 23.8 -59.8 -51.3 24.5 17.4 113.2 4 5 A H S S- 0 0 17 287,-0.1 2,-0.3 2,-0.0 -1,-0.3 -0.942 100.4-179.3-112.6 114.3 22.3 15.1 111.1 5 6 A A E -a 266 0A 1 260,-1.5 262,-1.6 -2,-0.6 2,-0.5 -0.778 35.2-154.0-121.4 149.8 24.8 12.5 110.0 6 7 A V E -a 267 0A 0 22,-0.3 24,-2.1 -2,-0.3 25,-1.8 -0.993 20.9-158.4-115.8 123.9 25.2 9.4 108.0 7 8 A T E -ab 268 31A 1 260,-2.3 262,-2.2 -2,-0.5 2,-0.4 -0.869 10.1-172.4 -99.4 136.2 28.1 7.1 109.1 8 9 A G E -ab 269 32A 0 23,-2.6 25,-2.6 -2,-0.4 2,-0.5 -0.995 20.8-131.6-130.3 138.3 29.5 4.6 106.6 9 10 A Y E -ab 270 33A 3 260,-2.2 263,-2.9 -2,-0.4 264,-0.5 -0.796 18.3-157.2 -84.2 124.9 32.1 1.9 107.1 10 11 A W E - b 0 34A 0 23,-2.6 25,-2.8 -2,-0.5 2,-0.5 -0.902 20.8-124.7-102.2 127.0 34.8 1.9 104.4 11 12 A Q E - b 0 35A 2 -2,-0.5 2,-0.6 23,-0.2 9,-0.3 -0.604 17.2-164.8 -79.5 121.8 36.5 -1.5 104.0 12 13 A N S S+ 0 0 12 23,-3.0 2,-0.3 -2,-0.5 -1,-0.1 -0.287 79.5 47.2 -87.1 46.9 40.3 -1.9 104.4 13 14 A F S S- 0 0 60 -2,-0.6 2,-0.6 41,-0.1 -2,-0.1 -0.955 87.9-105.0-174.6 162.9 40.0 -5.3 102.8 14 15 A N + 0 0 95 -2,-0.3 4,-0.1 1,-0.1 41,-0.0 -0.918 37.1 159.9-108.9 118.1 38.4 -7.0 99.8 15 16 A N S S- 0 0 59 -2,-0.6 -1,-0.1 2,-0.1 3,-0.1 0.101 76.3 -80.7-119.2 20.3 35.3 -9.2 100.6 16 17 A G S S+ 0 0 61 1,-0.4 3,-0.1 0, 0.0 -2,-0.1 0.185 99.4 117.1 97.6 -18.0 33.8 -9.3 97.1 17 18 A A S S- 0 0 6 1,-0.2 -1,-0.4 210,-0.0 2,-0.2 -0.258 84.0 -68.6 -70.6 171.2 32.2 -5.9 97.5 18 19 A T - 0 0 61 255,-0.9 2,-0.2 -3,-0.1 258,-0.2 -0.437 54.2-124.7 -62.6 122.6 33.1 -3.0 95.2 19 20 A V - 0 0 63 -2,-0.2 2,-0.4 -3,-0.1 -1,-0.1 -0.529 36.1-175.3 -72.5 136.7 36.7 -1.9 96.0 20 21 A Q - 0 0 9 -9,-0.3 2,-0.2 -2,-0.2 253,-0.1 -0.985 26.9-140.1-134.4 143.5 36.9 1.8 96.8 21 22 A K > - 0 0 95 -2,-0.4 3,-1.4 1,-0.1 4,-0.5 -0.548 43.4-106.1 -79.1 163.3 39.5 4.4 97.6 22 23 A I G > S+ 0 0 0 1,-0.2 3,-1.5 -2,-0.2 -1,-0.1 0.884 123.4 61.3 -55.5 -37.5 38.5 6.9 100.3 23 24 A S G 3 S+ 0 0 63 1,-0.3 -1,-0.2 -3,-0.0 40,-0.0 0.691 96.7 60.1 -66.3 -16.4 37.9 9.4 97.5 24 25 A D G < S+ 0 0 91 -3,-1.4 -1,-0.3 2,-0.1 -2,-0.2 0.593 76.4 113.5 -83.3 -14.8 35.3 7.1 96.0 25 26 A V S < S- 0 0 4 -3,-1.5 248,-0.0 -4,-0.5 -15,-0.0 -0.419 78.4-103.4 -62.5 128.1 33.0 7.2 99.0 26 27 A P > - 0 0 21 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 -0.128 21.8-118.8 -50.7 148.4 29.7 9.0 98.2 27 28 A S T 3 S+ 0 0 94 1,-0.3 -2,-0.1 -3,-0.1 -3,-0.0 0.715 105.1 77.7 -62.1 -22.4 29.3 12.6 99.5 28 29 A A T 3 S+ 0 0 17 -23,-0.0 2,-0.7 2,-0.0 -22,-0.3 0.723 73.7 92.4 -58.8 -25.8 26.3 11.5 101.6 29 30 A Y < + 0 0 0 -3,-1.7 -22,-0.2 1,-0.2 3,-0.1 -0.634 47.0 175.6 -81.5 117.6 28.6 10.1 104.2 30 31 A D S S+ 0 0 12 -24,-2.1 46,-2.3 -2,-0.7 2,-0.4 0.758 75.8 34.8 -88.0 -30.1 29.4 12.6 106.9 31 32 A I E S-bc 7 76A 0 -25,-1.8 -23,-2.6 44,-0.2 2,-0.5 -1.000 71.2-162.9-127.8 125.4 31.5 10.2 109.0 32 33 A I E -bc 8 77A 0 44,-2.7 46,-2.7 -2,-0.4 2,-0.6 -0.967 5.9-157.9-111.8 117.9 33.6 7.5 107.4 33 34 A A E -bc 9 78A 0 -25,-2.6 -23,-2.6 -2,-0.5 2,-0.6 -0.886 12.8-139.9 -99.8 114.7 34.7 4.7 109.7 34 35 A V E -bc 10 79A 0 44,-3.1 46,-2.9 -2,-0.6 2,-0.6 -0.656 26.8-120.7 -79.3 118.3 37.8 2.9 108.4 35 36 A A E +bc 11 80A 0 -25,-2.8 -23,-3.0 -2,-0.6 46,-0.1 -0.881 69.0 5.9-109.4 109.8 37.3 -0.9 109.0 36 37 A F E - 0 0 32 -2,-0.6 13,-0.3 44,-0.6 -1,-0.2 0.657 35.9-166.0-147.4 166.3 39.5 -1.9 110.8 37 38 A A E - c 0 81A 5 43,-2.7 45,-0.6 -3,-0.3 2,-0.3 -0.407 42.8-123.4 -66.7 156.0 42.5 -1.5 113.0 38 39 A D E -J 47 0B 76 9,-3.6 9,-1.9 43,-0.1 2,-0.1 -0.840 14.6-119.8-103.9 141.0 44.4 -4.8 113.8 39 40 A A E -J 46 0B 34 -2,-0.3 2,-0.2 7,-0.2 7,-0.2 -0.391 31.7-156.4 -63.8 158.3 45.1 -6.2 117.2 40 41 A T - 0 0 59 5,-1.0 4,-0.2 2,-0.5 5,-0.1 -0.662 36.0 -90.3-124.9-175.3 48.8 -6.8 118.1 41 42 A T S S+ 0 0 148 -2,-0.2 -2,-0.0 2,-0.1 3,-0.0 0.630 105.2 86.7 -74.0 -11.7 50.7 -9.0 120.5 42 43 A T S > S- 0 0 65 1,-0.1 3,-2.0 56,-0.0 -2,-0.5 -0.806 94.8-107.9 -89.0 121.5 50.5 -6.2 123.1 43 44 A P T 3 S+ 0 0 89 0, 0.0 55,-0.2 0, 0.0 3,-0.1 -0.238 99.6 3.6 -53.2 128.6 47.2 -6.5 125.2 44 45 A G T 3 S+ 0 0 4 1,-0.2 2,-0.2 45,-0.2 58,-0.1 0.236 102.1 125.1 84.8 -16.4 44.8 -3.7 124.2 45 46 A A < - 0 0 12 -3,-2.0 -5,-1.0 -5,-0.1 2,-0.3 -0.477 37.8-170.0 -83.3 150.1 47.0 -2.3 121.5 46 47 A V E -J 39 0B 8 52,-0.4 2,-0.3 -7,-0.2 -7,-0.2 -0.887 7.5-171.3-128.8 166.4 46.1 -1.7 117.9 47 48 A T E -J 38 0B 51 -9,-1.9 -9,-3.6 -2,-0.3 2,-0.4 -0.953 16.7-135.0-145.1 163.7 47.7 -0.8 114.6 48 49 A F - 0 0 2 -2,-0.3 2,-0.5 -11,-0.2 -11,-0.1 -0.995 17.1-179.1-123.9 132.3 46.5 0.1 111.2 49 50 A N - 0 0 93 -2,-0.4 2,-0.1 -13,-0.3 -2,-0.0 -0.948 28.0-130.6-130.2 106.7 48.0 -1.3 108.0 50 51 A L - 0 0 19 -2,-0.5 2,-2.0 1,-0.1 3,-0.3 -0.363 18.8-129.6 -56.3 129.5 46.5 -0.1 104.7 51 52 A D > + 0 0 53 1,-0.2 4,-1.5 2,-0.1 7,-0.2 -0.398 44.3 161.4 -81.2 63.0 45.6 -3.1 102.5 52 53 A S T 4>S+ 0 0 39 -2,-2.0 5,-2.8 1,-0.2 6,-0.8 0.894 70.9 48.4 -49.4 -49.5 47.5 -1.7 99.5 53 54 A A T >45S+ 0 0 92 -3,-0.3 3,-1.1 1,-0.2 -1,-0.2 0.926 114.0 44.0 -60.0 -50.7 47.7 -5.1 97.8 54 55 A G T 345S+ 0 0 25 1,-0.3 -1,-0.2 2,-0.1 -2,-0.2 0.634 110.8 57.4 -71.6 -14.1 44.0 -6.1 98.3 55 56 A L T 3<5S- 0 0 9 -4,-1.5 3,-0.4 -3,-0.4 -1,-0.3 0.001 125.4 -91.7-109.7 27.5 42.9 -2.6 97.2 56 57 A G T < 5S- 0 0 78 -3,-1.1 -3,-0.2 1,-0.2 -2,-0.1 0.789 83.3 -51.7 73.1 29.3 44.5 -2.5 93.8 57 58 A G S - 0 0 75 -2,-0.1 4,-2.8 1,-0.1 5,-0.2 -0.532 13.1-121.9 -93.0 155.5 49.2 3.8 98.4 60 61 A V H > S+ 0 0 50 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.912 115.0 53.2 -54.6 -45.4 49.6 5.1 102.0 61 62 A D H > S+ 0 0 124 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.904 110.5 45.3 -58.8 -43.0 50.3 8.6 100.6 62 63 A Q H > S+ 0 0 86 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.906 112.4 51.9 -68.6 -40.7 47.1 8.6 98.4 63 64 A F H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.957 111.0 47.7 -57.8 -50.7 45.0 7.3 101.4 64 65 A K H X S+ 0 0 48 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.887 113.1 48.4 -57.9 -40.9 46.4 10.1 103.6 65 66 A A H X S+ 0 0 23 -4,-2.0 4,-2.4 -5,-0.2 -1,-0.2 0.887 110.2 51.0 -65.5 -40.9 45.7 12.6 100.9 66 67 A D H X S+ 0 0 12 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.897 109.0 51.7 -63.9 -42.9 42.1 11.3 100.4 67 68 A V H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.943 110.3 48.8 -57.4 -48.3 41.5 11.6 104.1 68 69 A R H X S+ 0 0 156 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.897 110.2 51.4 -59.8 -42.1 42.7 15.2 104.1 69 70 A A H X S+ 0 0 64 -4,-2.4 4,-1.2 2,-0.2 -1,-0.2 0.880 108.5 50.7 -64.0 -39.5 40.4 16.0 101.1 70 71 A K H <>S+ 0 0 23 -4,-2.2 5,-2.6 1,-0.2 3,-0.3 0.914 111.4 49.6 -61.1 -43.0 37.4 14.5 102.9 71 72 A Q H ><5S+ 0 0 54 -4,-2.3 3,-1.7 1,-0.2 -2,-0.2 0.873 105.6 55.0 -64.7 -38.6 38.2 16.6 105.9 72 73 A A H 3<5S+ 0 0 94 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.793 105.6 55.0 -62.2 -29.2 38.5 19.8 103.8 73 74 A A T 3<5S- 0 0 68 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.327 128.3-101.2 -86.7 7.3 35.0 19.0 102.5 74 75 A G T < 5S+ 0 0 57 -3,-1.7 -3,-0.2 1,-0.3 -2,-0.1 0.494 79.9 131.6 89.2 6.9 33.7 18.9 106.1 75 76 A K < - 0 0 34 -5,-2.6 2,-0.4 -6,-0.2 -1,-0.3 -0.422 49.6-134.4 -85.5 164.2 33.7 15.1 106.6 76 77 A K E -c 31 0A 58 -46,-2.3 -44,-2.7 -2,-0.1 2,-0.5 -0.939 12.5-161.9-115.4 143.0 35.1 13.2 109.5 77 78 A V E +c 32 0A 0 -2,-0.4 36,-3.0 -46,-0.2 37,-0.5 -0.989 15.8 177.2-126.3 122.0 37.2 10.0 109.1 78 79 A I E -c 33 0A 0 -46,-2.7 -44,-3.1 -2,-0.5 2,-0.5 -0.808 29.7-115.4-123.3 159.9 37.7 7.8 112.1 79 80 A I E -cd 34 115A 1 35,-2.2 37,-2.5 -2,-0.3 2,-0.4 -0.868 26.0-146.0 -95.2 128.2 39.4 4.4 112.7 80 81 A S E -cd 35 116A 0 -46,-2.9 -43,-2.7 -2,-0.5 -44,-0.6 -0.786 8.6-154.5 -94.8 133.9 37.2 1.5 113.7 81 82 A V E +cd 37 117A 0 35,-2.6 37,-2.2 -2,-0.4 2,-0.6 -0.891 60.0 9.0-104.6 132.4 38.5 -1.1 116.2 82 83 A G E + d 0 118A 6 -45,-0.6 37,-0.3 -2,-0.4 3,-0.2 -0.911 58.9 178.8 115.8-118.1 37.2 -4.6 116.2 83 84 A G E > - d 0 119A 2 35,-2.8 3,-2.0 -2,-0.6 37,-0.5 -0.133 60.0 -56.8 90.7 167.4 34.9 -6.0 113.6 84 85 A E T 3 S+ 0 0 139 1,-0.3 -1,-0.2 35,-0.1 35,-0.0 0.858 140.8 36.9 -49.9 -41.8 33.5 -9.6 113.4 85 86 A K T 3 S+ 0 0 185 -3,-0.2 -1,-0.3 2,-0.0 -2,-0.1 0.318 89.3 130.5 -96.9 10.3 37.0 -11.1 113.4 86 87 A G < - 0 0 21 -3,-2.0 -3,-0.1 32,-0.2 -48,-0.1 -0.225 37.0-171.0 -67.6 150.8 38.7 -8.7 115.8 87 88 A T + 0 0 103 -5,-0.1 2,-0.2 2,-0.0 -1,-0.1 0.101 36.6 135.1-128.4 25.2 40.7 -9.9 118.8 88 89 A V - 0 0 5 -49,-0.1 2,-0.4 -45,-0.1 33,-0.2 -0.546 32.5-169.3 -74.1 134.1 41.3 -6.6 120.7 89 90 A S - 0 0 52 -2,-0.2 2,-0.5 -44,-0.1 -45,-0.2 -0.997 16.0-177.1-127.1 132.0 40.7 -6.9 124.5 90 91 A V + 0 0 7 -2,-0.4 34,-0.5 32,-0.1 38,-0.3 -0.875 38.5 126.0-127.1 90.9 40.6 -3.9 127.0 91 92 A N + 0 0 92 -2,-0.5 2,-0.3 36,-0.2 -1,-0.1 0.039 60.5 41.7-142.9 26.9 40.2 -5.5 130.4 92 93 A S S > S- 0 0 38 1,-0.1 4,-2.2 -3,-0.1 5,-0.1 -0.965 85.2-101.6-161.5 168.7 43.0 -4.2 132.6 93 94 A S H > S+ 0 0 63 -2,-0.3 4,-2.4 2,-0.2 5,-0.2 0.932 121.4 50.8 -63.4 -44.8 44.7 -0.9 133.4 94 95 A A H > S+ 0 0 63 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.931 112.2 45.6 -59.7 -44.9 47.7 -1.8 131.2 95 96 A S H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.871 110.8 54.5 -70.3 -35.0 45.5 -2.8 128.2 96 97 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.927 111.6 44.4 -58.3 -45.2 43.4 0.4 128.7 97 98 A T H X S+ 0 0 57 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.916 113.0 51.3 -65.6 -41.2 46.7 2.5 128.5 98 99 A N H X S+ 0 0 46 -4,-2.7 4,-2.4 2,-0.2 -52,-0.4 0.878 110.5 50.1 -64.0 -37.0 47.9 0.5 125.5 99 100 A F H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 5,-0.3 0.961 112.7 44.6 -65.0 -51.7 44.6 1.1 123.7 100 101 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.931 116.4 47.1 -59.1 -45.9 44.7 4.8 124.3 101 102 A N H X S+ 0 0 73 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.927 116.8 42.0 -60.7 -46.9 48.4 5.1 123.3 102 103 A S H X S+ 0 0 19 -4,-2.4 4,-2.4 -5,-0.2 5,-0.2 0.898 113.7 50.3 -74.3 -41.5 48.1 3.0 120.2 103 104 A V H X S+ 0 0 0 -4,-2.8 4,-2.8 -5,-0.3 -1,-0.2 0.935 112.5 47.8 -60.2 -42.7 44.8 4.5 119.0 104 105 A Y H X S+ 0 0 64 -4,-2.1 4,-2.7 -5,-0.3 -2,-0.2 0.918 109.9 52.9 -66.0 -37.6 46.1 8.0 119.4 105 106 A S H X S+ 0 0 78 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.910 111.6 46.6 -60.6 -43.1 49.4 7.0 117.6 106 107 A V H X S+ 0 0 9 -4,-2.4 4,-2.2 2,-0.2 6,-0.4 0.918 111.6 51.4 -66.7 -42.7 47.2 5.7 114.7 107 108 A X H X>S+ 0 0 11 -4,-2.8 4,-1.8 -5,-0.2 5,-1.2 0.945 113.0 44.3 -58.0 -47.4 45.1 8.8 114.7 108 109 A R H <5S+ 0 0 183 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.876 111.7 53.7 -68.4 -37.4 48.1 11.1 114.5 109 110 A E H <5S+ 0 0 103 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.889 124.0 24.1 -63.0 -41.8 49.9 9.0 111.8 110 111 A Y H <5S- 0 0 34 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.508 107.1-113.4-105.7 -5.9 47.0 9.1 109.4 111 112 A G T <5 + 0 0 34 -4,-1.8 -34,-0.2 -5,-0.2 -3,-0.2 0.698 51.5 171.7 79.5 25.9 45.1 12.2 110.5 112 113 A F < - 0 0 10 -5,-1.2 -34,-0.2 -6,-0.4 -1,-0.2 -0.357 34.8-139.3 -70.7 147.4 42.0 10.5 111.8 113 114 A D - 0 0 36 -36,-3.0 31,-2.3 1,-0.1 2,-0.3 0.518 68.1 -54.8 -79.7 -8.1 39.4 12.5 113.7 114 115 A G E - e 0 144A 0 -37,-0.5 -35,-2.2 29,-0.2 2,-0.3 -0.980 64.1 -66.8 160.9-155.8 38.7 9.8 116.3 115 116 A V E -de 79 145A 0 29,-1.9 31,-2.3 -2,-0.3 2,-0.4 -0.931 17.8-147.2-139.9 149.2 37.7 6.3 116.9 116 117 A D E -de 80 146A 0 -37,-2.5 -35,-2.6 -2,-0.3 2,-0.8 -0.980 20.6-140.5-117.4 129.3 34.8 3.9 116.5 117 118 A I E +de 81 147A 0 29,-2.5 31,-2.6 -2,-0.4 -35,-0.1 -0.831 37.3 152.6 -93.8 111.1 34.4 1.1 119.0 118 119 A D E +d 82 0A 6 -37,-2.2 -35,-2.8 -2,-0.8 2,-0.4 -0.203 10.6 154.7-132.9 42.1 33.3 -2.0 117.3 119 120 A L E +d 83 0A 4 -37,-0.3 3,-0.2 1,-0.1 -37,-0.1 -0.562 14.1 177.1 -68.2 128.7 34.7 -4.8 119.6 120 121 A E + 0 0 45 -37,-0.5 -1,-0.1 -2,-0.4 3,-0.1 0.257 68.9 71.0-114.8 8.8 32.5 -7.9 119.1 121 122 A N S S- 0 0 73 1,-0.5 -1,-0.1 -33,-0.2 2,-0.1 0.045 117.9 -50.7-113.8 21.2 34.5 -10.2 121.4 122 123 A G - 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0 0 56 -3,-1.9 -3,-0.2 1,-0.3 -2,-0.1 0.671 61.2 -78.3 72.0 16.9 24.3 1.4 92.9 280 281 A N T 3> + 0 0 56 -3,-1.5 4,-2.1 -6,-0.5 5,-0.3 0.922 67.9 48.9 -60.1 -42.4 20.6 3.2 96.3 282 283 A W H >>S+ 0 0 2 -58,-0.3 4,-2.8 1,-0.2 5,-0.6 0.966 115.5 40.4 -66.5 -54.0 20.9 3.1 100.2 283 284 A S H >5S+ 0 0 1 1,-0.2 4,-1.3 3,-0.2 5,-0.4 0.864 112.7 57.1 -65.9 -32.8 23.0 6.3 100.6 284 285 A N H X5S+ 0 0 109 -4,-2.4 4,-1.3 3,-0.2 -1,-0.2 0.947 118.9 30.1 -58.8 -47.6 21.1 8.1 97.9 285 286 A S H X5S+ 0 0 45 -4,-2.1 4,-2.0 -5,-0.2 -2,-0.2 0.946 126.6 39.9 -83.7 -51.6 17.7 7.7 99.7 286 287 A V H X5S+ 0 0 0 -4,-2.8 4,-3.0 -5,-0.3 5,-0.3 0.907 116.2 52.6 -65.1 -40.9 18.8 7.5 103.4 287 288 A G H X< S+ 0 0 49 -4,-2.0 3,-0.7 1,-0.2 4,-0.5 0.929 113.2 45.3 -69.4 -43.8 16.3 11.9 104.1 290 291 A V H >< S+ 0 0 0 -4,-3.0 3,-1.5 1,-0.2 -1,-0.2 0.917 111.7 52.2 -63.9 -43.2 18.8 12.4 106.9 291 292 A H H 3< S+ 0 0 79 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.550 106.8 55.3 -75.7 -7.9 20.1 15.6 105.4 292 293 A A T << 0 0 80 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.2 0.474 360.0 360.0 -95.5 -8.6 16.5 16.9 105.2 293 294 A L < 0 0 66 -3,-1.5 -2,-0.2 -4,-0.5 -3,-0.1 0.983 360.0 360.0 -66.3 360.0 15.8 16.3 108.9