==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 15-MAR-12 4E6I . COMPND 2 MOLECULE: THERMONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR B.M.DOCTROW,J.L.SCHLESSMAN,B.GARCIA-MORENO E. . 247 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13153.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 176 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 3.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 66 26.7 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 . 4 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 2.4 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 . 2 0.8 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 . 15 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 55 22.3 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 . 2 4 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 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 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 0 101 0, 0.0 2,-0.4 0, 0.0 59,-0.1 0.000 360.0 360.0 360.0 146.4 25.2 -26.7 8.2 2 8 A H - 0 0 108 57,-0.3 57,-0.5 58,-0.1 2,-0.4 -0.985 360.0-127.3-130.5 143.6 24.1 -29.9 6.7 3 9 A K - 0 0 94 -2,-0.4 55,-0.2 55,-0.2 72,-0.1 -0.662 28.1-167.4 -78.2 127.2 21.6 -30.7 4.0 4 10 A E E -A 57 0A 20 53,-3.1 53,-2.8 -2,-0.4 2,-0.0 -0.920 24.3-103.0-119.1 154.0 19.0 -33.4 5.0 5 11 A P E +A 56 0A 45 0, 0.0 17,-0.4 0, 0.0 2,-0.3 -0.291 40.1 170.6 -75.8 150.3 16.7 -35.2 2.8 6 12 A A E -A 55 0A 2 49,-2.3 49,-0.7 15,-0.1 2,-0.4 -0.961 24.6-134.7-146.4 163.6 13.0 -34.5 2.5 7 13 A T E -B 20 0A 48 13,-2.0 13,-3.3 -2,-0.3 2,-0.2 -0.986 29.4-113.0-119.6 133.4 10.0 -35.5 0.3 8 14 A L E +B 19 0A 40 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.456 34.3 170.4 -57.7 130.0 7.4 -33.0 -1.2 9 15 A I E - 0 0 64 9,-2.9 2,-0.3 1,-0.3 10,-0.2 0.719 67.0 -33.1 -99.4 -52.9 3.9 -33.3 0.3 10 16 A K E -B 18 0A 106 8,-2.3 8,-3.6 0, 0.0 -1,-0.3 -0.956 51.7-111.9-167.8 147.7 2.6 -30.1 -1.3 11 17 A A E +B 17 0A 21 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.388 31.6 172.2 -68.1 152.0 3.4 -26.6 -2.5 12 18 A I E - 0 0 77 4,-1.2 2,-0.2 1,-0.5 5,-0.2 0.451 54.4 -32.9-129.7 -67.3 1.7 -23.9 -0.4 13 19 A D E > S-B 16 0A 64 3,-2.4 3,-1.1 28,-0.1 -1,-0.5 -0.805 75.1 -68.9-149.4-173.6 3.0 -20.5 -1.4 14 20 A G T 3 S+ 0 0 3 24,-0.3 72,-0.1 1,-0.3 77,-0.0 0.827 132.1 17.8 -53.4 -35.5 6.1 -18.6 -2.7 15 21 A N T 3 S+ 0 0 11 1,-0.1 15,-2.1 14,-0.0 2,-0.4 0.149 116.2 73.3-126.2 24.4 7.9 -19.1 0.7 16 22 A T E < +BC 13 29A 13 -3,-1.1 -3,-2.4 13,-0.2 -4,-1.2 -0.998 51.1 169.5-138.7 132.7 6.0 -21.9 2.3 17 23 A V E -BC 11 28A 0 11,-2.4 11,-3.1 -2,-0.4 2,-0.6 -0.993 29.7-129.9-141.3 149.6 6.0 -25.7 1.4 18 24 A K E +BC 10 27A 63 -8,-3.6 -9,-2.9 -2,-0.3 -8,-2.3 -0.888 35.4 175.8-102.7 118.3 4.8 -28.8 3.1 19 25 A L E -BC 8 26A 0 7,-3.0 7,-2.4 -2,-0.6 2,-0.8 -0.879 37.4-124.4-120.1 153.8 7.4 -31.6 3.3 20 26 A M E -BC 7 25A 75 -13,-3.3 -13,-2.0 -2,-0.3 2,-0.4 -0.855 39.2-179.1 -89.7 115.4 7.7 -35.0 4.8 21 27 A Y E > - C 0 24A 25 3,-3.0 3,-1.6 -2,-0.8 -15,-0.1 -0.991 65.3 -19.1-127.2 125.1 10.7 -34.6 7.0 22 28 A K T 3 S- 0 0 166 -2,-0.4 -1,-0.2 -17,-0.4 -16,-0.1 0.866 129.7 -48.9 31.3 54.1 12.0 -37.7 9.0 23 29 A G T 3 S+ 0 0 69 1,-0.1 -1,-0.2 -3,-0.0 -3,-0.1 0.442 120.9 96.2 84.9 -2.2 8.6 -39.4 8.6 24 30 A Q E < S-C 21 0A 110 -3,-1.6 -3,-3.0 -5,-0.0 2,-0.1 -0.988 75.6-117.4-123.2 138.7 6.4 -36.5 9.7 25 31 A P E +C 20 0A 69 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.445 42.1 172.9 -58.4 135.8 4.6 -33.9 7.6 26 32 A M E -C 19 0A 23 -7,-2.4 -7,-3.0 -2,-0.1 2,-0.5 -0.989 32.2-130.1-148.7 136.7 5.9 -30.4 8.4 27 33 A V E -C 18 0A 42 -2,-0.3 44,-2.6 -9,-0.3 2,-0.5 -0.797 27.1-157.6 -79.6 129.9 5.3 -27.0 7.0 28 34 A F E -Cd 17 71A 0 -11,-3.1 -11,-2.4 -2,-0.5 2,-0.6 -0.937 7.5-154.2-113.1 131.4 8.6 -25.2 6.2 29 35 A R E -Cd 16 72A 47 42,-3.6 44,-1.5 -2,-0.5 2,-0.3 -0.918 29.5-117.4-101.2 120.8 8.9 -21.5 5.9 30 36 A L E > - d 0 73A 2 -15,-2.1 3,-1.1 -2,-0.6 44,-0.2 -0.461 34.9-117.9 -59.2 118.0 11.9 -20.5 3.6 31 37 A L T 3 S+ 0 0 14 42,-2.3 44,-0.1 -2,-0.3 -1,-0.1 -0.259 85.3 5.4 -58.3 142.9 14.4 -18.5 5.7 32 38 A L T 3 S+ 0 0 9 64,-0.2 63,-2.2 1,-0.1 2,-0.5 0.501 96.4 121.3 76.6 7.5 15.2 -14.9 4.8 33 39 A V E < -H 94 0B 0 -3,-1.1 2,-0.4 61,-0.3 61,-0.2 -0.942 39.4-170.7-113.6 123.2 12.6 -14.6 2.1 34 40 A D E H 93 0B 78 59,-3.4 59,-2.3 -2,-0.5 -3,-0.0 -0.933 360.0 360.0-109.4 133.2 9.8 -11.9 2.1 35 41 A I 0 0 95 -2,-0.4 57,-0.1 57,-0.2 3,-0.1 -0.839 360.0 360.0-101.6 360.0 7.0 -11.9 -0.4 36 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 37 54 A Y > 0 0 110 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -6.4 4.0 -10.9 -7.4 38 55 A G H > + 0 0 35 2,-0.2 4,-2.3 1,-0.2 -24,-0.3 0.939 360.0 44.6 -48.9 -53.1 2.5 -13.1 -4.7 39 56 A P H > S+ 0 0 104 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.912 113.1 49.7 -69.7 -34.6 0.9 -15.4 -7.2 40 57 A E H > S+ 0 0 97 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.890 110.0 52.5 -67.3 -39.2 4.0 -15.6 -9.5 41 58 A A H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 5,-0.3 0.960 111.0 47.0 -57.9 -39.4 6.1 -16.4 -6.4 42 59 A A H X S+ 0 0 29 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.920 112.4 50.5 -69.3 -40.4 3.7 -19.2 -5.5 43 60 A A H X S+ 0 0 59 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.902 111.6 47.1 -63.3 -40.3 3.8 -20.4 -9.1 44 61 A F H X S+ 0 0 51 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.940 114.1 45.4 -73.1 -47.0 7.6 -20.4 -9.2 45 62 A T H X S+ 0 0 5 -4,-2.7 4,-2.7 2,-0.2 5,-0.3 0.954 111.6 53.2 -62.3 -43.7 8.1 -22.2 -5.9 46 63 A K H X S+ 0 0 97 -4,-2.9 4,-2.7 -5,-0.3 5,-0.2 0.933 112.3 44.7 -57.0 -44.3 5.4 -24.8 -6.7 47 64 A K H X S+ 0 0 143 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.911 110.9 55.9 -65.4 -41.5 7.1 -25.6 -10.1 48 65 A M H < S+ 0 0 41 -4,-2.4 4,-0.4 -5,-0.2 -1,-0.2 0.935 116.4 32.4 -57.7 -51.2 10.5 -25.7 -8.4 49 66 A V H >< S+ 0 0 7 -4,-2.7 3,-0.7 1,-0.2 -2,-0.2 0.895 118.0 53.6 -79.6 -35.0 9.6 -28.3 -5.8 50 67 A E H 3< S+ 0 0 57 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.816 114.0 42.5 -66.2 -32.1 7.1 -30.3 -7.9 51 68 A N T 3< S+ 0 0 59 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.474 92.9 106.8 -93.4 -3.5 9.6 -30.7 -10.8 52 69 A A < - 0 0 6 -3,-0.7 3,-0.1 -4,-0.4 100,-0.0 -0.432 56.1-157.2 -75.7 145.9 12.5 -31.5 -8.5 53 70 A K S S+ 0 0 58 1,-0.3 2,-0.3 -2,-0.1 -1,-0.1 0.545 84.3 27.3 -91.0 -9.4 13.9 -35.0 -8.3 54 71 A K - 0 0 60 141,-0.0 24,-2.7 2,-0.0 2,-0.4 -0.935 64.2-167.5-155.0 128.0 15.3 -34.3 -4.9 55 72 A I E -AE 6 77A 8 -49,-0.7 -49,-2.3 -2,-0.3 2,-0.3 -0.947 9.6-174.9-117.5 138.2 14.5 -31.9 -2.1 56 73 A E E -AE 5 76A 23 20,-2.1 20,-3.1 -2,-0.4 2,-0.4 -0.948 14.0-147.5-131.5 144.3 16.7 -31.1 0.9 57 74 A V E -AE 4 75A 0 -53,-2.8 -53,-3.1 -2,-0.3 2,-0.5 -0.934 10.2-169.5-110.8 142.8 16.2 -29.1 4.0 58 75 A E E - E 0 74A 13 16,-2.2 16,-2.9 -2,-0.4 -55,-0.2 -0.917 10.3-152.0-135.1 103.5 19.0 -27.2 5.6 59 76 A F E - E 0 73A 13 -57,-0.5 -57,-0.3 -2,-0.5 14,-0.2 -0.403 16.2-131.3 -62.8 150.0 18.5 -25.7 9.1 60 77 A D - 0 0 2 12,-0.6 -1,-0.1 3,-0.2 41,-0.1 -0.030 34.7 -87.2 -87.5-157.0 20.4 -22.7 10.0 61 78 A K S S+ 0 0 137 39,-0.3 40,-0.1 -2,-0.1 3,-0.1 0.550 102.9 48.9 -99.2 -11.0 22.4 -22.3 13.3 62 79 A G S S- 0 0 28 1,-0.3 38,-0.1 2,-0.0 37,-0.1 0.114 107.1 -10.9-105.4-140.2 19.6 -20.8 15.5 63 80 A Q - 0 0 108 36,-0.6 -1,-0.3 1,-0.1 -3,-0.2 -0.293 51.5-156.2 -63.6 145.9 16.0 -21.7 16.2 64 81 A R S S+ 0 0 123 1,-0.1 8,-2.4 -3,-0.1 2,-0.3 0.544 72.2 37.7-102.5 -12.1 14.5 -24.4 13.9 65 82 A T B S-F 71 0A 73 6,-0.3 6,-0.2 -37,-0.1 -1,-0.1 -0.986 73.6-131.0-139.4 149.8 10.8 -23.6 14.2 66 83 A D > - 0 0 31 4,-2.5 3,-2.5 -2,-0.3 -2,-0.1 -0.345 43.0 -89.7 -90.1 177.3 8.8 -20.4 14.5 67 84 A K T 3 S+ 0 0 183 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.718 128.2 58.4 -56.8 -24.8 6.1 -19.7 17.1 68 85 A Y T 3 S- 0 0 151 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.337 119.9-108.7 -86.6 4.5 3.7 -21.2 14.6 69 86 A G S < S+ 0 0 52 -3,-2.5 2,-0.4 1,-0.3 -42,-0.2 0.591 70.7 143.8 79.9 3.9 5.4 -24.5 14.5 70 87 A R - 0 0 79 -44,-0.1 -4,-2.5 -42,-0.1 -1,-0.3 -0.710 54.7-115.0 -78.6 136.7 6.8 -24.0 10.9 71 88 A G E -dF 28 65A 0 -44,-2.6 -42,-3.6 -2,-0.4 2,-0.6 -0.380 23.5-144.7 -58.9 143.1 10.3 -25.3 10.1 72 89 A L E +d 29 0A 26 -8,-2.4 -12,-0.6 -44,-0.2 2,-0.3 -0.929 44.3 127.1-120.5 106.0 12.7 -22.5 9.3 73 90 A A E -dE 30 59A 0 -44,-1.5 -42,-2.3 -2,-0.6 2,-0.5 -0.946 64.2-102.2-153.7 166.9 15.1 -23.7 6.7 74 91 A Y E - E 0 58A 0 -16,-2.9 -16,-2.2 -2,-0.3 2,-0.5 -0.856 42.6-151.1 -91.5 126.0 16.9 -23.2 3.3 75 92 A I E - E 0 57A 5 -2,-0.5 7,-3.4 -18,-0.2 8,-0.6 -0.905 8.9-160.1-106.4 130.5 15.1 -25.6 1.0 76 93 A Y E -GE 81 56A 16 -20,-3.1 -20,-2.1 -2,-0.5 2,-0.5 -0.931 7.8-165.6-112.5 141.8 17.1 -27.1 -1.9 77 94 A A E > S-GE 80 55A 8 3,-2.9 3,-2.6 -2,-0.4 -22,-0.2 -0.995 81.1 -17.1-126.6 118.3 15.7 -28.6 -5.1 78 95 A D T 3 S- 0 0 66 -24,-2.7 -1,-0.1 -2,-0.5 -23,-0.1 0.884 129.5 -52.9 52.8 45.4 18.1 -30.6 -7.2 79 96 A G T 3 S+ 0 0 36 -25,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.371 115.4 116.4 80.4 -10.5 21.0 -29.0 -5.3 80 97 A K E < S-G 77 0A 149 -3,-2.6 -3,-2.9 1,-0.0 2,-0.5 -0.820 70.2-120.7-103.0 131.2 19.7 -25.5 -6.0 81 98 A M E > -G 76 0A 16 -2,-0.5 4,-2.1 -5,-0.2 -5,-0.3 -0.561 15.9-157.4 -72.6 120.2 18.7 -23.3 -3.1 82 99 A G H > S+ 0 0 8 -7,-3.4 4,-2.5 -2,-0.5 5,-0.2 0.897 89.9 58.4 -62.3 -38.9 15.0 -22.3 -3.5 83 100 A N H > S+ 0 0 0 -8,-0.6 4,-1.5 1,-0.2 -1,-0.2 0.927 110.9 41.9 -60.3 -44.3 15.4 -19.3 -1.2 84 101 A E H > S+ 0 0 56 2,-0.2 4,-3.4 1,-0.2 -1,-0.2 0.890 109.2 57.2 -65.7 -44.8 18.1 -17.8 -3.4 85 102 A A H X S+ 0 0 25 -4,-2.1 4,-2.3 1,-0.2 6,-0.2 0.933 107.3 51.1 -58.4 -42.6 16.3 -18.7 -6.8 86 103 A L H <>S+ 0 0 0 -4,-2.5 5,-2.7 2,-0.2 6,-0.6 0.924 113.7 41.8 -53.5 -51.4 13.3 -16.7 -5.6 87 104 A V H ><5S+ 0 0 0 -4,-1.5 3,-2.3 4,-0.2 -2,-0.2 0.922 112.6 54.7 -65.3 -47.4 15.2 -13.6 -4.7 88 105 A R H 3<5S+ 0 0 83 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.843 106.5 52.1 -51.6 -44.4 17.4 -14.0 -7.9 89 106 A Q T 3<5S- 0 0 82 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.377 116.5-117.9 -67.3 -0.8 14.2 -14.0 -10.0 90 107 A G T < 5S+ 0 0 0 -3,-2.3 32,-2.6 2,-0.2 33,-0.2 0.827 83.1 121.3 57.7 32.9 13.1 -10.8 -8.2 91 108 A L S - 0 0 155 3,-0.4 3,-1.5 -2,-0.1 -66,-0.0 -0.983 62.7 -8.9-118.7 136.6 15.3 -13.3 12.9 99 116 A K T 3 S- 0 0 138 -2,-0.4 -36,-0.6 1,-0.3 -1,-0.1 0.798 120.6 -62.4 53.0 43.3 16.8 -15.1 15.8 100 117 A G T 3 S+ 0 0 40 1,-0.2 2,-1.2 -38,-0.1 -39,-0.3 0.706 94.2 136.0 62.6 16.3 20.4 -15.2 14.5 101 118 A N < + 0 0 2 -3,-1.5 -3,-0.4 1,-0.2 -1,-0.2 -0.672 27.9 118.2 -93.0 82.9 19.5 -17.4 11.4 102 119 A N > + 0 0 56 -2,-1.2 3,-1.9 -5,-0.1 4,-0.4 0.146 18.3 123.2-133.2 19.0 21.6 -15.4 8.9 103 120 A T T 3 S+ 0 0 63 1,-0.3 3,-0.3 -3,-0.2 4,-0.2 0.885 88.4 32.9 -59.6 -42.1 24.2 -17.8 7.5 104 121 A H T 3> S+ 0 0 39 1,-0.2 4,-2.1 2,-0.1 -1,-0.3 0.271 88.2 110.5 -93.5 14.9 23.1 -17.3 3.8 105 122 A E H <> S+ 0 0 37 -3,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.884 78.8 44.4 -55.6 -46.6 22.1 -13.6 4.3 106 123 A Q H > S+ 0 0 118 -4,-0.4 4,-2.3 -3,-0.3 -1,-0.2 0.932 110.6 55.2 -70.0 -42.3 24.9 -12.0 2.3 107 124 A H H > S+ 0 0 90 -4,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.881 111.5 44.3 -51.7 -45.2 24.5 -14.6 -0.5 108 125 A L H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.836 108.9 55.9 -72.7 -36.9 20.9 -13.7 -0.8 109 126 A R H X S+ 0 0 81 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.889 107.6 50.9 -58.3 -37.9 21.6 -9.9 -0.6 110 127 A K H X S+ 0 0 153 -4,-2.3 4,-1.3 2,-0.2 -2,-0.2 0.853 110.9 47.4 -64.7 -37.9 24.0 -10.5 -3.6 111 128 A A H X S+ 0 0 6 -4,-1.5 4,-1.9 1,-0.2 -2,-0.2 0.896 112.4 51.7 -70.0 -39.0 21.2 -12.3 -5.5 112 129 A E H X S+ 0 0 29 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.862 105.9 51.5 -64.8 -48.1 18.8 -9.5 -4.6 113 130 A A H X S+ 0 0 59 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.852 110.4 51.1 -57.4 -37.1 21.0 -6.6 -5.8 114 131 A Q H X S+ 0 0 74 -4,-1.3 4,-2.4 2,-0.2 -2,-0.2 0.914 110.3 47.4 -68.3 -37.9 21.4 -8.4 -9.2 115 132 A A H <>S+ 0 0 0 -4,-1.9 5,-2.4 1,-0.2 -2,-0.2 0.918 113.7 50.2 -66.6 -40.0 17.6 -8.8 -9.6 116 133 A K H ><5S+ 0 0 120 -4,-2.4 3,-1.3 1,-0.2 -2,-0.2 0.919 109.4 48.7 -64.8 -43.6 17.4 -5.2 -8.6 117 134 A K H 3<5S+ 0 0 164 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.879 113.1 48.3 -60.7 -40.9 20.1 -4.2 -11.3 118 135 A E T 3<5S- 0 0 87 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.397 107.8-133.4 -75.9 0.3 18.1 -6.3 -13.9 119 136 A K T < 5 + 0 0 152 -3,-1.3 2,-0.4 1,-0.2 -3,-0.2 0.889 43.1 177.8 42.9 44.9 15.0 -4.5 -12.6 120 137 A L > < - 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0 0 93 3,-0.4 3,-1.6 -2,-0.3 -36,-0.1 -0.945 64.1 -28.3-110.0 117.8 20.8 -51.0 -3.2 225 116 B K T 3 S- 0 0 111 -2,-0.5 -36,-1.4 1,-0.3 -1,-0.1 0.819 122.7 -45.1 50.0 45.5 19.1 -52.6 -0.1 226 117 B G T 3 S+ 0 0 29 -38,-0.2 2,-1.4 1,-0.1 -39,-0.3 0.468 99.1 131.4 85.6 2.8 18.3 -56.1 -1.4 227 118 B N < + 0 0 1 -3,-1.6 -3,-0.4 1,-0.2 -1,-0.1 -0.580 27.0 117.6 -87.9 76.5 16.8 -54.9 -4.9 228 119 B N > + 0 0 59 -2,-1.4 3,-1.5 -5,-0.1 4,-0.5 0.084 22.6 121.6-124.4 16.0 18.8 -57.3 -7.1 229 120 B T T 3 S+ 0 0 62 1,-0.3 3,-0.3 2,-0.1 4,-0.3 0.961 89.6 26.0 -57.9 -44.8 16.1 -59.3 -8.8 230 121 B H T 3> S+ 0 0 38 1,-0.2 4,-2.5 2,-0.1 -1,-0.3 0.172 88.7 111.6-102.5 21.5 17.0 -58.4 -12.4 231 122 B E H <> S+ 0 0 47 -3,-1.5 4,-2.7 2,-0.2 -1,-0.2 0.938 80.4 45.2 -52.9 -51.7 20.7 -57.6 -11.7 232 123 B Q H > S+ 0 0 117 -4,-0.5 4,-2.1 -3,-0.3 -1,-0.2 0.900 111.7 52.6 -66.3 -42.6 22.0 -60.6 -13.7 233 124 B H H > S+ 0 0 78 -4,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.903 112.4 45.4 -51.0 -50.5 19.6 -59.9 -16.5 234 125 B L H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.885 108.2 56.3 -66.9 -36.5 20.9 -56.3 -16.7 235 126 B R H X S+ 0 0 83 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.885 106.9 50.5 -60.4 -41.9 24.5 -57.4 -16.4 236 127 B K H X S+ 0 0 142 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.924 110.2 49.3 -61.1 -47.2 24.0 -59.6 -19.5 237 128 B A H X S+ 0 0 7 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.916 111.6 50.2 -57.9 -41.3 22.4 -56.6 -21.4 238 129 B E H X S+ 0 0 10 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.861 105.7 54.3 -64.7 -42.4 25.4 -54.5 -20.4 239 130 B A H X S+ 0 0 55 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.843 109.7 49.6 -60.3 -35.8 28.0 -57.0 -21.5 240 131 B Q H X S+ 0 0 66 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.951 109.4 49.6 -67.3 -47.2 26.3 -57.0 -25.0 241 132 B A H <>S+ 0 0 0 -4,-2.1 5,-2.7 1,-0.2 4,-0.3 0.912 114.2 47.7 -55.9 -42.1 26.3 -53.1 -25.1 242 133 B K H ><5S+ 0 0 100 -4,-2.5 3,-1.4 1,-0.2 -1,-0.2 0.922 108.8 51.0 -65.0 -47.1 30.0 -53.3 -24.2 243 134 B K H 3<5S+ 0 0 164 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.799 112.2 49.3 -64.5 -22.9 30.8 -56.0 -26.8 244 135 B E T 3<5S- 0 0 81 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.488 107.5-130.7 -88.3 -7.2 29.0 -53.7 -29.3 245 136 B K T < 5 + 0 0 148 -3,-1.4 2,-0.3 -4,-0.3 -3,-0.2 0.862 44.5 178.6 52.9 41.1 31.1 -50.7 -28.2 246 137 B L > < - 0 0 48 -5,-2.7 3,-3.1 -6,-0.1 2,-0.3 -0.591 43.6 -53.5 -80.0 131.8 27.8 -48.8 -27.9 247 138 B N G > S+ 0 0 55 -2,-0.3 3,-1.8 1,-0.3 -30,-0.2 -0.191 135.7 24.3 50.7 -98.7 27.6 -45.3 -26.7 248 139 B I G 3 S+ 0 0 40 -32,-2.4 -1,-0.3 -2,-0.3 -31,-0.1 0.750 123.5 58.2 -71.0 -18.2 29.4 -45.0 -23.3 249 140 B W G < 0 0 43 -3,-3.1 -1,-0.3 1,-0.2 -2,-0.2 0.313 360.0 360.0 -94.2 7.3 31.3 -48.1 -24.3 250 141 B S < 0 0 110 -3,-1.8 -1,-0.2 -34,-0.2 -2,-0.1 0.729 360.0 360.0 -37.4 360.0 32.7 -46.3 -27.4