==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 23-AUG-96 1SND . COMPND 2 MOLECULE: STAPHYLOCOCCAL NUCLEASE DIMER; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR S.M.GREEN,A.G.GITTIS,A.K.MEEKER,E.E.LATTMAN . 258 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13401.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 178 69.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 3.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 66 25.6 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 . 6 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 2.7 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 . 17 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 57 22.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.6 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 2 0 0 0 0 0 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 PARALLEL BRIDGES PER LADDER . 5 4 1 5 1 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 2 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 7 A L 0 0 64 0, 0.0 2,-0.4 0, 0.0 70,-0.1 0.000 360.0 360.0 360.0 76.1 107.2 75.6 45.0 2 8 A H - 0 0 136 68,-0.3 68,-0.8 69,-0.0 2,-0.2 -0.910 360.0-130.2-111.4 131.8 107.7 71.9 45.4 3 9 A K E -A 69 0A 80 -2,-0.4 66,-0.2 66,-0.2 83,-0.1 -0.517 24.5-179.1 -83.9 149.0 110.1 70.4 48.0 4 10 A E E -A 68 0A 37 64,-1.5 64,-2.5 -2,-0.2 2,-0.0 -0.990 29.0-107.0-147.0 143.2 112.7 67.8 47.3 5 11 A P E +A 67 0A 93 0, 0.0 2,-0.3 0, 0.0 17,-0.3 -0.325 35.6 177.2 -72.9 160.9 115.2 66.0 49.6 6 12 A A E -A 66 0A 8 60,-1.2 60,-0.6 15,-0.1 2,-0.5 -0.949 23.5-129.0-159.2 145.6 118.9 66.8 49.4 7 13 A T E -D 20 0B 97 13,-1.8 13,-2.8 -2,-0.3 58,-0.1 -0.864 28.0-114.9-104.9 134.6 121.9 65.5 51.4 8 14 A L E +D 19 0B 46 -2,-0.5 11,-0.2 11,-0.2 3,-0.1 -0.300 37.4 164.8 -64.9 149.3 124.3 67.9 53.1 9 15 A I E - 0 0 72 9,-1.7 2,-0.3 1,-0.2 10,-0.2 0.515 66.1 -29.7-124.1 -53.8 127.9 67.9 51.8 10 16 A K E -D 18 0B 127 8,-1.8 8,-3.2 50,-0.0 2,-0.4 -0.922 50.2-122.0-171.8 139.9 129.2 71.1 53.3 11 17 A A E -D 17 0B 15 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.721 26.1-178.9 -84.8 136.1 128.1 74.6 54.4 12 18 A I - 0 0 38 4,-2.5 2,-0.3 -2,-0.4 5,-0.2 0.767 58.0 -22.2-109.8 -35.2 130.1 77.3 52.5 13 19 A D S S- 0 0 5 3,-2.1 -1,-0.4 40,-0.1 3,-0.1 -0.898 75.7 -81.6-160.0-176.9 128.8 80.6 53.8 14 20 A G S S+ 0 0 0 -2,-0.3 23,-0.1 22,-0.3 83,-0.1 0.838 132.4 32.9 -66.9 -29.5 125.8 82.1 55.6 15 21 A D S S+ 0 0 4 20,-0.1 15,-2.4 1,-0.1 2,-0.4 0.458 115.0 64.2-105.3 1.3 124.0 82.3 52.2 16 22 A T E + E 0 29B 7 13,-0.2 -4,-2.5 -3,-0.1 -3,-2.1 -0.962 49.8 175.7-136.9 126.0 125.5 79.2 50.5 17 23 A V E -DE 11 28B 1 11,-2.0 11,-3.2 -2,-0.4 2,-0.6 -0.966 24.8-137.2-128.0 132.9 125.2 75.5 51.2 18 24 A K E +DE 10 27B 78 -8,-3.2 -8,-1.8 -2,-0.4 -9,-1.7 -0.817 33.7 178.5 -89.2 122.2 126.7 72.6 49.0 19 25 A L E -DE 8 26B 0 7,-3.5 7,-3.4 -2,-0.6 2,-0.9 -0.848 36.2-121.5-123.7 159.1 124.1 69.8 48.8 20 26 A M E -DE 7 25B 66 -13,-2.8 -13,-1.8 -2,-0.3 2,-0.6 -0.873 39.1-176.3 -99.7 97.5 123.9 66.4 47.1 21 27 A Y E > - E 0 24B 37 3,-2.4 3,-1.5 -2,-0.9 -15,-0.1 -0.874 63.4 -20.4-107.1 116.0 120.8 66.8 44.9 22 28 A K T 3 S- 0 0 156 -2,-0.6 -1,-0.2 -17,-0.3 -16,-0.1 0.888 128.0 -49.4 57.6 42.5 119.6 63.9 42.9 23 29 A G T 3 S+ 0 0 53 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.0 0.382 121.7 99.5 81.3 -5.2 122.9 62.1 43.0 24 30 A Q E < S-E 21 0B 133 -3,-1.5 -3,-2.4 2,-0.0 -1,-0.2 -0.919 78.1-112.7-121.1 139.4 124.9 65.2 41.9 25 31 A P E +E 20 0B 76 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.498 44.1 174.5 -63.3 134.4 126.9 67.7 43.9 26 32 A M E -E 19 0B 54 -7,-3.4 -7,-3.5 -2,-0.2 2,-0.5 -0.995 26.1-142.3-144.9 138.9 125.1 71.1 43.8 27 33 A T E -E 18 0B 39 -2,-0.3 55,-2.8 53,-0.3 2,-0.4 -0.914 22.3-155.0-104.6 128.8 125.8 74.4 45.5 28 34 A F E -Ef 17 82B 0 -11,-3.2 -11,-2.0 -2,-0.5 2,-0.4 -0.893 9.8-153.9-113.5 140.0 122.7 76.4 46.5 29 35 A R E -Ef 16 83B 17 53,-3.2 55,-2.3 -2,-0.4 2,-0.3 -0.887 33.8-110.4-103.5 132.1 122.2 80.1 47.1 30 36 A L E > - f 0 84B 1 -15,-2.4 3,-0.7 -2,-0.4 55,-0.2 -0.472 34.2-123.3 -69.1 127.3 119.5 81.0 49.5 31 37 A L T 3 S+ 0 0 0 53,-1.4 55,-0.1 -2,-0.3 -1,-0.1 -0.479 79.6 0.3 -74.1 143.1 116.5 82.7 47.8 32 38 A L T 3 S+ 0 0 14 -2,-0.2 74,-1.5 1,-0.1 2,-0.4 0.579 106.7 95.2 60.0 22.4 115.2 86.1 48.8 33 39 A V E < -M 105 0C 1 -3,-0.7 2,-0.5 72,-0.3 72,-0.2 -0.995 56.2-151.4-140.9 145.9 117.7 86.9 51.6 34 40 A D E -M 104 0C 78 70,-3.0 70,-2.4 -2,-0.4 -3,-0.0 -0.963 18.5-168.3-122.1 116.5 121.0 88.7 51.8 35 41 A T - 0 0 5 -2,-0.5 68,-0.2 68,-0.2 -20,-0.1 -0.744 29.8-108.5-102.7 140.3 123.4 87.6 54.4 36 42 A P - 0 0 13 0, 0.0 2,-0.4 0, 0.0 -22,-0.3 -0.456 50.1-135.1 -60.4 145.4 126.6 89.3 55.6 37 43 A E - 0 0 42 1,-0.1 9,-2.9 -23,-0.1 3,-0.4 -0.866 35.7-164.6-121.1 148.4 129.4 87.2 54.2 38 44 A T S S+ 0 0 30 11,-0.4 2,-0.2 -2,-0.4 -1,-0.1 0.679 102.9 48.3 -85.3 -25.1 132.7 85.7 55.3 39 45 A K S S+ 0 0 120 10,-0.1 -1,-0.2 -3,-0.1 6,-0.2 -0.419 75.5 158.7-115.0 52.7 133.4 85.2 51.6 40 46 A H B > -N 44 0D 40 4,-2.8 4,-1.3 -3,-0.4 5,-0.0 -0.661 41.6-135.2 -81.3 129.6 132.6 88.6 50.1 41 47 A P T 4 S+ 0 0 107 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.841 100.5 14.5 -49.3 -45.1 134.3 89.2 46.7 42 48 A K T 4 S+ 0 0 172 2,-0.1 -2,-0.1 -3,-0.0 -3,-0.0 0.769 135.4 39.4-102.8 -35.4 135.4 92.7 47.6 43 49 A K T 4 S- 0 0 132 1,-0.2 2,-0.8 -4,-0.0 -4,-0.0 0.846 80.0-161.4 -86.7 -35.0 135.0 93.0 51.4 44 50 A G B < S+N 40 0D 29 -4,-1.3 -4,-2.8 2,-0.0 2,-0.6 -0.797 70.4 18.9 87.6-112.8 136.2 89.5 52.5 45 51 A V S S- 0 0 97 -2,-0.8 -7,-0.3 -6,-0.2 2,-0.2 -0.843 78.1-162.2 -98.4 118.7 134.8 89.0 56.0 46 52 A E > - 0 0 40 -9,-2.9 3,-1.6 -2,-0.6 2,-0.2 -0.549 32.9 -86.2 -92.4 161.8 131.9 91.3 56.9 47 53 A K T 3 S+ 0 0 169 1,-0.3 -1,-0.1 -2,-0.2 -10,-0.1 -0.504 119.9 12.8 -67.3 133.0 130.6 92.1 60.4 48 54 A Y T 3> S+ 0 0 50 -2,-0.2 4,-2.6 -12,-0.1 -1,-0.3 0.366 100.2 112.2 75.9 -1.1 128.0 89.5 61.5 49 55 A G H <> S+ 0 0 0 -3,-1.6 4,-2.5 -12,-0.2 -11,-0.4 0.956 76.4 45.6 -66.9 -47.7 129.4 87.5 58.5 50 56 A P H > S+ 0 0 56 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.906 111.9 54.7 -62.6 -37.0 131.0 84.8 60.8 51 57 A E H > S+ 0 0 91 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.929 109.5 43.9 -61.0 -50.1 127.7 84.8 62.8 52 58 A A H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.920 114.9 51.0 -64.1 -39.5 125.5 84.0 59.8 53 59 A S H X S+ 0 0 29 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.944 111.1 46.9 -62.2 -47.8 128.0 81.4 58.5 54 60 A A H X S+ 0 0 55 -4,-3.0 4,-2.7 -5,-0.2 5,-0.3 0.914 113.0 52.1 -60.6 -39.3 128.1 79.7 61.9 55 61 A F H X S+ 0 0 60 -4,-2.5 4,-2.8 -5,-0.2 5,-0.2 0.937 110.9 43.5 -62.1 -52.5 124.3 79.8 62.0 56 62 A T H X S+ 0 0 0 -4,-2.8 4,-3.3 2,-0.2 5,-0.2 0.962 115.5 50.8 -57.5 -50.4 123.7 78.2 58.6 57 63 A K H X S+ 0 0 96 -4,-2.5 4,-3.0 2,-0.2 5,-0.2 0.893 114.2 41.9 -52.5 -54.5 126.4 75.6 59.3 58 64 A K H X S+ 0 0 153 -4,-2.7 4,-1.4 -5,-0.2 -1,-0.2 0.940 116.4 49.2 -62.4 -45.4 125.0 74.6 62.7 59 65 A M H < S+ 0 0 34 -4,-2.8 -2,-0.2 -5,-0.3 -1,-0.2 0.911 118.7 39.2 -60.4 -40.1 121.4 74.7 61.4 60 66 A V H >< S+ 0 0 2 -4,-3.3 3,-0.8 -5,-0.2 -2,-0.2 0.878 113.8 51.5 -82.5 -35.4 122.3 72.6 58.4 61 67 A E H 3< S+ 0 0 86 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.661 110.3 49.3 -76.0 -22.5 124.8 70.1 60.0 62 68 A N T 3< S+ 0 0 117 -4,-1.4 -1,-0.2 -5,-0.2 2,-0.2 0.429 87.3 106.7 -99.2 7.2 122.4 69.2 62.7 63 69 A A < - 0 0 22 -3,-0.8 3,-0.2 -4,-0.2 -55,-0.1 -0.528 53.7-159.0 -85.0 148.0 119.4 68.5 60.5 64 70 A K S S+ 0 0 182 1,-0.3 2,-0.4 -2,-0.2 -1,-0.1 0.805 84.5 30.5 -89.3 -36.2 118.2 64.9 59.9 65 71 A K - 0 0 139 -58,-0.1 24,-2.5 -60,-0.0 25,-0.3 -0.987 69.3-169.1-129.8 120.8 116.4 65.8 56.8 66 72 A I E -AB 6 88A 12 -60,-0.6 -60,-1.2 -2,-0.4 2,-0.3 -0.795 9.2-179.4-107.6 147.2 117.3 68.6 54.4 67 73 A E E -AB 5 87A 59 20,-1.7 20,-3.2 -2,-0.3 2,-0.4 -0.985 15.4-148.5-144.4 150.3 115.0 69.8 51.6 68 74 A V E -AB 4 86A 0 -64,-2.5 -64,-1.5 -2,-0.3 2,-0.4 -0.960 7.5-163.8-119.9 142.0 115.2 72.4 48.8 69 75 A E E -AB 3 85A 14 16,-1.6 16,-2.8 -2,-0.4 2,-0.3 -0.994 14.7-145.5-127.5 131.1 112.2 74.3 47.4 70 76 A F - 0 0 25 -68,-0.8 -68,-0.3 -2,-0.4 2,-0.3 -0.779 14.2-120.4-105.4 148.7 112.5 76.1 44.1 71 77 A D - 0 0 10 3,-0.5 12,-0.1 12,-0.4 167,-0.1 -0.547 26.5-130.5 -72.3 137.4 111.1 79.3 42.7 72 78 A K S S+ 0 0 83 165,-0.3 136,-0.3 -2,-0.3 -1,-0.1 0.765 100.1 33.2 -68.5 -19.1 109.2 78.4 39.6 73 79 A G S S+ 0 0 5 1,-0.3 135,-0.4 134,-0.1 2,-0.1 0.750 112.7 42.1 -97.3 -96.0 111.1 81.2 37.9 74 80 A Q + 0 0 26 1,-0.2 -3,-0.5 133,-0.1 -1,-0.3 -0.343 57.9 154.1 -60.9 129.0 114.7 81.9 38.8 75 81 A R + 0 0 62 131,-2.9 8,-1.9 1,-0.3 2,-0.3 0.593 56.1 20.5-131.3 -22.9 116.5 78.7 39.3 76 82 A T B -GH 82 206B 49 130,-1.8 130,-2.3 6,-0.2 -1,-0.3 -0.958 58.4-143.6-147.3 158.6 120.2 79.3 38.7 77 83 A D > - 0 0 6 4,-1.7 3,-2.2 -2,-0.3 127,-0.2 -0.744 40.4 -92.9-116.6 176.8 122.8 82.0 38.6 78 84 A K T 3 S+ 0 0 100 125,-3.3 126,-0.1 1,-0.3 125,-0.1 0.609 121.4 60.6 -63.4 -14.0 125.9 82.7 36.4 79 85 A Y T 3 S- 0 0 147 124,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.410 119.3-107.9 -93.3 -1.5 128.2 81.0 38.9 80 86 A G S < S+ 0 0 45 -3,-2.2 -53,-0.3 1,-0.3 2,-0.2 0.384 70.9 143.5 92.7 -4.6 126.3 77.8 38.5 81 87 A R - 0 0 59 -55,-0.1 -4,-1.7 1,-0.1 -1,-0.3 -0.465 47.8-129.2 -71.8 137.5 124.6 77.9 41.9 82 88 A G E -fG 28 76B 3 -55,-2.8 -53,-3.2 -6,-0.2 2,-0.5 -0.454 20.0-130.9 -77.2 157.3 121.1 76.6 42.3 83 89 A L E +f 29 0B 0 -8,-1.9 -12,-0.4 -55,-0.2 2,-0.3 -0.964 41.9 145.3-114.9 124.3 118.6 79.0 44.0 84 90 A A E -f 30 0B 0 -55,-2.3 -53,-1.4 -2,-0.5 2,-0.7 -1.000 54.7-116.2-159.8 159.6 116.4 77.6 46.8 85 91 A Y E -B 69 0A 0 -16,-2.8 -16,-1.6 -2,-0.3 2,-0.4 -0.878 45.0-153.3 -89.1 110.8 114.6 77.8 50.0 86 92 A I E -B 68 0A 1 -2,-0.7 7,-2.9 -18,-0.2 8,-0.6 -0.766 6.8-156.4 -98.4 137.0 116.4 75.2 52.1 87 93 A Y E -BC 67 92A 15 -20,-3.2 -20,-1.7 -2,-0.4 2,-0.5 -0.918 10.3-165.0-115.4 140.3 114.8 73.4 55.0 88 94 A A E > S-BC 66 91A 5 3,-3.2 3,-1.5 -2,-0.4 -22,-0.2 -0.958 85.0 -25.9-123.5 99.0 116.4 71.7 58.0 89 95 A D T 3 S- 0 0 69 -24,-2.5 -1,-0.1 -2,-0.5 -23,-0.1 0.887 128.3 -46.1 59.8 49.1 113.8 69.5 59.6 90 96 A G T 3 S+ 0 0 47 -25,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.212 118.0 112.6 82.4 -15.8 110.9 71.4 58.4 91 97 A K E < -C 88 0A 156 -3,-1.5 -3,-3.2 4,-0.0 2,-0.4 -0.810 68.4-127.0 -96.1 127.0 112.5 74.7 59.3 92 98 A M E > -C 87 0A 14 -2,-0.5 4,-2.5 -5,-0.3 -5,-0.3 -0.550 7.8-155.0 -73.0 122.0 113.5 77.1 56.5 93 99 A V H > S+ 0 0 0 -7,-2.9 4,-2.6 -2,-0.4 5,-0.2 0.875 95.8 59.3 -61.7 -37.8 117.1 78.2 56.9 94 100 A N H > S+ 0 0 0 -8,-0.6 4,-1.7 1,-0.2 -1,-0.2 0.952 112.1 37.8 -55.0 -52.8 116.2 81.4 54.9 95 101 A E H > S+ 0 0 44 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.839 111.7 59.3 -70.1 -35.7 113.6 82.4 57.5 96 102 A A H X S+ 0 0 14 -4,-2.5 4,-1.4 1,-0.2 -2,-0.2 0.954 108.6 45.1 -59.0 -48.1 115.8 81.2 60.4 97 103 A L H <>S+ 0 0 0 -4,-2.6 5,-2.9 1,-0.2 6,-0.7 0.880 113.0 49.4 -60.0 -47.9 118.5 83.6 59.4 98 104 A V H ><5S+ 0 0 0 -4,-1.7 3,-1.7 4,-0.2 5,-0.3 0.922 107.3 55.3 -59.5 -44.0 116.1 86.5 58.8 99 105 A R H 3<5S+ 0 0 63 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.835 107.4 49.9 -60.0 -35.1 114.4 86.0 62.2 100 106 A Q T 3<5S- 0 0 72 -4,-1.4 -1,-0.3 -5,-0.2 157,-0.2 0.364 116.9-111.0 -86.8 5.8 117.8 86.3 64.0 101 107 A G T < 5S+ 0 0 0 -3,-1.7 156,-2.0 2,-0.2 -3,-0.2 0.834 89.1 119.0 67.6 28.6 118.7 89.5 62.3 102 108 A L S S+ 0 0 20 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.148 77.1 109.6-103.4 19.1 109.0 94.8 43.4 110 122 A E H > S+ 0 0 6 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.890 73.4 51.9 -63.1 -43.9 106.6 92.2 44.7 111 123 A Q H > S+ 0 0 134 -3,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.949 113.6 45.4 -59.1 -46.8 104.8 94.5 47.2 112 124 A H H > S+ 0 0 85 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.907 112.5 51.3 -59.6 -48.2 104.2 97.0 44.3 113 125 A L H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.834 108.2 50.9 -60.6 -36.3 103.1 94.2 42.0 114 126 A R H X S+ 0 0 75 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.880 104.4 58.8 -72.0 -31.8 100.6 92.8 44.5 115 127 A K H X S+ 0 0 160 -4,-1.8 4,-1.5 -5,-0.2 -2,-0.2 0.939 111.8 40.4 -58.5 -50.2 99.1 96.3 45.0 116 128 A S H X S+ 0 0 9 -4,-1.6 4,-2.5 2,-0.2 -1,-0.2 0.854 111.9 55.2 -68.4 -38.4 98.3 96.4 41.2 117 129 A E H X S+ 0 0 5 -4,-2.2 4,-2.9 1,-0.2 -2,-0.2 0.902 107.3 51.8 -61.4 -39.4 97.2 92.7 41.1 118 130 A A H X S+ 0 0 46 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.888 109.5 49.3 -63.8 -40.7 94.7 93.6 43.9 119 131 A Q H X S+ 0 0 69 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.902 111.7 48.9 -63.7 -42.0 93.4 96.5 41.8 120 132 A A H X>S+ 0 0 0 -4,-2.5 5,-1.7 2,-0.2 4,-0.8 0.930 111.4 49.0 -64.2 -45.7 93.1 94.2 38.8 121 133 A K H ><5S+ 0 0 90 -4,-2.9 3,-1.2 1,-0.2 -2,-0.2 0.943 111.4 50.7 -57.5 -48.8 91.2 91.6 40.8 122 134 A K H 3<5S+ 0 0 161 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.850 110.5 47.5 -58.4 -38.9 88.9 94.3 42.2 123 135 A E H 3<5S- 0 0 93 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.541 108.8-126.6 -84.1 -5.6 88.1 95.6 38.8 124 136 A K T <<5 + 0 0 146 -3,-1.2 2,-0.2 -4,-0.8 -3,-0.2 0.764 44.1 177.7 68.0 31.5 87.5 92.1 37.5 125 137 A L > < - 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0 0 49 -3,-2.8 -2,-0.1 -127,-0.2 10,-0.1 0.841 23.1-156.8 46.1 51.6 122.3 87.0 36.0 205 81 B R - 0 0 37 -128,-0.1 8,-2.3 8,-0.1 2,-0.3 -0.166 12.4-170.8 -58.2 137.2 119.8 84.6 37.3 206 82 B T B -HL 76 212B 36 -130,-2.3 -131,-2.9 6,-0.3 -130,-1.8 -0.795 18.6-119.9-127.3 165.7 118.0 82.4 34.7 207 83 B D > - 0 0 3 4,-1.4 3,-1.6 -133,-0.3 -133,-0.1 -0.240 51.6 -78.1 -90.1-168.4 115.1 80.0 34.8 208 84 B K T 3 S+ 0 0 120 -135,-0.4 -134,-0.1 -136,-0.3 -135,-0.1 0.755 131.9 52.6 -67.2 -18.4 115.3 76.3 33.8 209 85 B Y T 3 S- 0 0 124 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.139 122.0-102.8-100.1 14.8 115.3 77.2 30.1 210 86 B G S < S+ 0 0 51 -3,-1.6 2,-0.5 1,-0.2 -53,-0.2 0.563 71.5 148.4 76.9 10.8 118.2 79.6 30.4 211 87 B R - 0 0 52 -55,-0.1 -4,-1.4 -53,-0.1 -1,-0.2 -0.680 47.6-125.4 -85.0 124.2 116.0 82.8 30.3 212 88 B G E -kL 158 206B 0 -55,-1.7 -53,-2.8 -2,-0.5 2,-0.3 -0.483 21.7-131.8 -70.9 131.0 117.4 85.7 32.3 213 89 B L E +k 159 0B 6 -8,-2.3 -12,-0.4 -2,-0.2 2,-0.3 -0.655 42.4 138.1 -87.2 134.8 114.9 87.1 34.8 214 90 B A E -k 160 0B 0 -55,-2.2 -53,-2.3 -2,-0.3 2,-0.6 -0.991 55.1-102.8-164.5 167.6 114.4 90.9 35.0 215 91 B Y E -P 199 0E 10 -16,-1.3 -16,-2.3 -2,-0.3 2,-0.4 -0.905 41.5-155.4 -96.7 119.4 112.2 93.9 35.3 216 92 B I E -P 198 0E 3 -2,-0.6 7,-3.5 -18,-0.2 2,-0.5 -0.853 5.3-159.4-105.8 134.7 111.8 95.4 31.9 217 93 B Y E -PQ 197 222E 14 -20,-2.5 -20,-1.9 -2,-0.4 2,-0.8 -0.965 8.4-158.1-117.7 127.8 110.9 99.0 31.3 218 94 B A E > S-PQ 196 221E 7 3,-3.0 3,-1.4 -2,-0.5 -22,-0.2 -0.896 88.7 -26.6-103.1 98.4 109.4 100.4 28.2 219 95 B D T 3 S- 0 0 66 -24,-2.7 -1,-0.2 -2,-0.8 -23,-0.1 0.912 128.0 -48.3 59.0 47.0 110.3 104.0 28.3 220 96 B G T 3 S+ 0 0 38 1,-0.2 2,-0.5 -25,-0.2 -1,-0.3 0.299 114.7 115.9 81.3 -12.6 110.4 103.9 32.1 221 97 B K E < S-Q 218 0E 135 -3,-1.4 -3,-3.0 1,-0.0 2,-0.4 -0.821 71.0-121.1 -91.1 127.0 107.1 102.1 32.5 222 98 B M E > -Q 217 0E 17 -2,-0.5 4,-1.9 -5,-0.2 -5,-0.3 -0.527 14.7-155.5 -73.0 125.9 107.6 98.6 34.0 223 99 B V H > S+ 0 0 0 -7,-3.5 4,-1.9 -2,-0.4 5,-0.2 0.928 91.3 54.6 -65.7 -46.4 106.3 95.9 31.7 224 100 B N H > S+ 0 0 0 -8,-0.5 4,-1.8 1,-0.2 -1,-0.2 0.872 112.2 44.0 -57.0 -41.7 105.7 93.3 34.6 225 101 B E H > S+ 0 0 41 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.894 109.8 54.9 -70.6 -42.6 103.5 95.8 36.5 226 102 B A H X S+ 0 0 16 -4,-1.9 4,-0.7 2,-0.2 -2,-0.2 0.833 110.7 46.9 -58.8 -36.6 101.5 97.0 33.4 227 103 B L H ><>S+ 0 0 0 -4,-1.9 5,-2.4 2,-0.2 3,-0.8 0.947 113.6 47.3 -68.2 -50.6 100.6 93.3 32.7 228 104 B V H ><5S+ 0 0 0 -4,-1.8 3,-1.7 1,-0.2 5,-0.2 0.917 109.1 54.7 -58.0 -46.5 99.6 92.6 36.3 229 105 B R H 3<5S+ 0 0 61 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.722 107.0 50.4 -64.2 -23.0 97.6 95.8 36.5 230 106 B Q T <<5S- 0 0 85 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.367 117.1-110.1 -97.3 6.9 95.5 94.9 33.4 231 107 B G T < 5S+ 0 0 0 -3,-1.7 -104,-2.7 -4,-0.2 -3,-0.2 0.790 89.5 115.4 71.4 28.8 94.7 91.4 34.7 232 108 B L S S+ 0 0 21 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.241 80.5 109.6 -96.6 17.8 107.8 83.4 50.5 240 122 B E H > S+ 0 0 3 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.875 72.6 52.8 -61.6 -45.9 108.7 87.1 50.7 241 123 B Q H > S+ 0 0 151 -3,-0.4 4,-1.2 1,-0.2 -1,-0.2 0.931 114.1 45.3 -56.8 -41.1 105.7 88.3 52.6 242 124 B H H > S+ 0 0 87 -4,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.874 112.0 52.3 -69.0 -43.2 106.4 85.7 55.2 243 125 B L H X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.908 107.7 49.1 -63.0 -41.4 110.1 86.5 55.3 244 126 B R H X S+ 0 0 74 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.805 102.6 64.0 -70.3 -27.0 109.6 90.3 55.9 245 127 B K H X S+ 0 0 163 -4,-1.2 4,-1.4 -5,-0.3 -1,-0.2 0.957 107.3 42.8 -56.6 -49.2 107.2 89.4 58.7 246 128 B S H X S+ 0 0 11 -4,-1.4 4,-1.8 1,-0.2 -2,-0.2 0.848 109.6 56.9 -64.5 -39.4 110.2 87.8 60.5 247 129 B E H X S+ 0 0 16 -4,-1.7 4,-1.6 1,-0.2 -1,-0.2 0.856 103.8 53.1 -61.9 -40.9 112.5 90.6 59.6 248 130 B A H X S+ 0 0 59 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.896 109.7 49.3 -61.3 -41.7 110.3 93.2 61.3 249 131 B Q H X S+ 0 0 61 -4,-1.4 4,-2.2 1,-0.2 -2,-0.2 0.845 110.8 48.7 -66.2 -37.9 110.3 91.0 64.4 250 132 B A H <>S+ 0 0 0 -4,-1.8 5,-3.1 2,-0.2 -1,-0.2 0.752 112.2 50.2 -72.4 -27.7 114.1 90.7 64.4 251 133 B K H ><5S+ 0 0 124 -4,-1.6 3,-1.6 3,-0.2 -2,-0.2 0.915 109.3 50.7 -75.1 -44.7 114.3 94.5 63.9 252 134 B K H 3<5S+ 0 0 150 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.2 0.976 113.2 44.3 -53.1 -59.4 111.9 95.1 66.8 253 135 B E T 3<5S- 0 0 84 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.397 111.5-130.5 -66.4 -0.8 114.0 92.9 69.1 254 136 B K T < 5 - 0 0 147 -3,-1.6 2,-0.2 1,-0.2 -3,-0.2 0.857 37.7-170.5 46.0 54.0 117.1 94.7 67.5 255 137 B L > < - 0 0 36 -5,-3.1 3,-3.0 3,-0.1 4,-0.2 -0.545 41.6 -60.4 -82.2 136.4 118.8 91.4 66.8 256 138 B N G > S+ 0 0 51 1,-0.3 3,-1.3 -2,-0.2 -155,-0.2 0.019 135.6 32.7 33.0 -86.9 122.5 91.2 65.6 257 139 B I G 3 S+ 0 0 43 -156,-2.0 -1,-0.3 1,-0.3 -155,-0.1 0.883 126.1 44.6 -61.0 -40.7 122.3 93.2 62.3 258 140 B W G < 0 0 61 -3,-3.0 -1,-0.3 -8,-0.2 -2,-0.2 0.341 360.0 360.0 -86.7 4.5 119.7 95.5 63.6 259 141 B S < 0 0 100 -3,-1.3 -4,-0.1 -4,-0.2 -5,-0.1 -0.241 360.0 360.0 -64.8 360.0 121.4 96.0 67.0