==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 26-APR-12 4EVO . COMPND 2 MOLECULE: THERMONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR B.M.DOCTROW,J.L.SCHLESSMAN,B.GARCIA-MORENO E.,A.HEROUX . 124 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6832.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 89 71.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 3.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 35 28.2 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 . 2 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 3.2 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 . 1 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 . 8 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 21.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 1 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 0 0 0 PARALLEL BRIDGES PER LADDER . 2 2 1 0 2 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 . 1 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 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 98 0, 0.0 2,-0.4 0, 0.0 60,-0.1 0.000 360.0 360.0 360.0 145.3 -12.7 23.2 -7.8 2 8 A H - 0 0 122 58,-0.3 58,-0.5 59,-0.1 2,-0.3 -0.981 360.0-123.8-138.3 144.9 -14.0 20.1 -6.1 3 9 A K - 0 0 90 -2,-0.4 56,-0.2 56,-0.2 73,-0.1 -0.655 26.3-166.1 -81.4 138.6 -12.6 17.6 -3.7 4 10 A E E -A 58 0A 27 54,-2.6 54,-2.8 -2,-0.3 2,-0.1 -0.927 25.4-103.1-120.0 153.8 -12.5 13.9 -4.7 5 11 A P E +A 57 0A 108 0, 0.0 17,-0.5 0, 0.0 2,-0.3 -0.331 42.9 164.4 -78.6 148.8 -12.0 10.9 -2.5 6 12 A A E -A 56 0A 16 50,-2.0 50,-0.8 15,-0.1 2,-0.4 -0.917 27.5-131.7-149.0 176.7 -8.7 9.0 -2.3 7 13 A T E -B 20 0A 91 13,-1.6 13,-2.9 -2,-0.3 2,-0.1 -0.999 28.6-112.4-135.1 126.2 -7.0 6.5 -0.0 8 14 A L E +B 19 0A 43 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.445 33.7 171.7 -52.8 131.5 -3.5 6.7 1.3 9 15 A I E - 0 0 73 9,-2.6 2,-0.3 1,-0.3 10,-0.2 0.705 66.8 -27.3-102.1 -51.0 -1.3 4.1 -0.1 10 16 A K E -B 18 0A 125 8,-2.0 8,-3.1 40,-0.0 -1,-0.3 -0.954 53.6-115.8-163.3 153.5 2.0 5.5 1.2 11 17 A A E +B 17 0A 16 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.538 29.7 175.8 -78.7 143.7 3.7 8.6 2.3 12 18 A I E - 0 0 81 4,-1.4 2,-0.2 1,-0.5 5,-0.2 0.650 52.9 -43.0-116.6 -63.7 6.7 9.5 0.2 13 19 A D E > S-B 16 0A 63 3,-2.4 3,-1.0 29,-0.1 -1,-0.5 -0.826 76.7 -60.9-154.6-165.8 8.2 12.9 1.3 14 20 A G T 3 S+ 0 0 3 25,-0.3 73,-0.1 1,-0.3 78,-0.0 0.843 132.6 18.2 -60.0 -40.1 7.1 16.4 2.3 15 21 A N T 3 S+ 0 0 14 1,-0.1 15,-2.7 20,-0.0 2,-0.3 0.145 116.0 72.9-118.6 23.5 5.4 17.3 -1.0 16 22 A T E < +BC 13 29A 7 -3,-1.0 -3,-2.4 13,-0.2 -4,-1.4 -0.996 49.0 165.3-138.5 134.6 4.8 13.8 -2.6 17 23 A V E -BC 11 28A 0 11,-2.0 11,-3.2 -2,-0.3 2,-0.5 -0.984 30.9-129.0-144.0 151.8 2.4 11.0 -1.6 18 24 A K E +BC 10 27A 82 -8,-3.1 -9,-2.6 -2,-0.3 -8,-2.0 -0.892 35.5 176.9-105.4 126.4 1.1 7.9 -3.3 19 25 A L E -BC 8 26A 0 7,-3.1 7,-2.4 -2,-0.5 2,-0.6 -0.926 38.2-121.2-126.0 153.4 -2.7 7.5 -3.3 20 26 A M E +BC 7 25A 71 -13,-2.9 -13,-1.6 -2,-0.3 2,-0.4 -0.854 42.0 179.5 -83.8 121.3 -5.4 5.2 -4.6 21 27 A Y E > - C 0 24A 28 3,-3.2 3,-1.8 -2,-0.6 -15,-0.1 -0.990 64.9 -16.5-134.9 119.1 -7.4 7.6 -6.8 22 28 A K T 3 S- 0 0 163 -17,-0.5 -1,-0.2 -2,-0.4 -16,-0.1 0.913 130.0 -53.6 47.6 48.3 -10.5 6.4 -8.8 23 29 A G T 3 S+ 0 0 60 1,-0.1 -1,-0.3 -3,-0.1 -3,-0.1 0.540 120.6 98.7 71.0 10.3 -9.2 2.8 -8.2 24 30 A Q E < S-C 21 0A 132 -3,-1.8 -3,-3.2 -5,-0.0 2,-0.1 -0.988 76.7-113.7-125.9 141.3 -5.7 3.3 -9.6 25 31 A P E +C 20 0A 62 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.477 43.9 174.5 -64.5 132.5 -2.4 3.9 -7.6 26 32 A M E -C 19 0A 45 -7,-2.4 -7,-3.1 -2,-0.1 2,-0.4 -0.972 30.7-131.8-148.2 130.9 -1.1 7.4 -8.5 27 33 A V E -C 18 0A 42 -2,-0.3 45,-2.6 -9,-0.2 2,-0.4 -0.754 28.4-158.9 -82.4 130.2 1.8 9.6 -7.2 28 34 A F E -Cd 17 72A 0 -11,-3.2 -11,-2.0 -2,-0.4 2,-0.5 -0.910 10.3-152.3-113.5 139.7 0.7 13.1 -6.3 29 35 A R E -Cd 16 73A 58 43,-3.5 45,-1.6 -2,-0.4 2,-0.5 -0.945 29.8-116.5-110.1 128.9 2.8 16.2 -6.0 30 36 A L E > - d 0 74A 0 -15,-2.7 3,-1.4 -2,-0.5 45,-0.2 -0.539 34.8-119.3 -70.6 120.6 1.5 18.9 -3.7 31 37 A L T 3 S+ 0 0 0 43,-2.6 45,-0.1 -2,-0.5 -1,-0.1 -0.263 87.9 3.8 -61.1 136.6 0.7 22.0 -5.7 32 38 A L T 3 S+ 0 0 0 65,-0.2 64,-2.6 1,-0.2 2,-0.6 0.444 96.0 126.1 72.8 10.7 2.5 25.3 -4.8 33 39 A V E < -H 95 0B 1 -3,-1.4 2,-0.5 62,-0.2 62,-0.2 -0.859 36.7-174.5-105.8 118.8 4.7 23.6 -2.1 34 40 A D E -H 94 0B 75 60,-3.1 60,-2.6 -2,-0.6 -3,-0.0 -0.943 10.4-156.5-112.1 121.8 8.4 24.0 -2.5 35 41 A I 0 0 39 -2,-0.5 58,-0.1 58,-0.2 4,-0.1 -0.850 360.0 360.0 -99.6 113.8 10.8 22.1 -0.1 36 42 A P 0 0 106 0, 0.0 -1,-0.2 0, 0.0 57,-0.0 0.967 360.0 360.0 -67.3 360.0 14.2 23.8 0.2 37 ! 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 38 54 A Y > 0 0 123 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 4.2 14.1 20.7 7.0 39 55 A G H > + 0 0 32 2,-0.2 4,-2.3 1,-0.2 -25,-0.3 0.927 360.0 44.0 -62.7 -45.4 13.5 18.1 4.2 40 56 A P H > S+ 0 0 107 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.916 114.0 52.1 -63.6 -41.9 13.3 15.2 6.8 41 57 A E H > S+ 0 0 101 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.895 110.7 45.6 -60.3 -44.6 11.1 17.5 9.0 42 58 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 5,-0.3 0.944 112.6 52.4 -69.2 -37.1 8.7 18.2 6.1 43 59 A A H X S+ 0 0 27 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.938 110.6 46.8 -60.6 -49.0 8.6 14.5 5.2 44 60 A A H X S+ 0 0 61 -4,-2.9 4,-2.9 1,-0.2 5,-0.2 0.898 111.8 51.7 -63.2 -39.1 7.7 13.5 8.8 45 61 A F H X S+ 0 0 52 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.951 113.5 41.1 -64.3 -54.1 5.0 16.1 9.0 46 62 A T H X S+ 0 0 1 -4,-2.5 4,-2.6 2,-0.2 5,-0.3 0.938 113.6 56.1 -59.1 -42.5 3.2 15.2 5.8 47 63 A K H X S+ 0 0 98 -4,-2.7 4,-2.7 -5,-0.3 5,-0.2 0.938 112.1 41.6 -56.3 -53.5 3.7 11.4 6.7 48 64 A K H X S+ 0 0 137 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.946 114.0 52.6 -59.6 -49.0 1.9 11.9 10.1 49 65 A M H < S+ 0 0 36 -4,-2.8 4,-0.4 -5,-0.2 -2,-0.2 0.901 116.4 37.1 -56.9 -46.0 -0.8 14.1 8.7 50 66 A V H >< S+ 0 0 3 -4,-2.6 3,-0.8 1,-0.2 -1,-0.2 0.889 115.5 52.9 -75.2 -34.5 -1.8 11.7 5.9 51 67 A E H 3< S+ 0 0 95 -4,-2.7 -2,-0.2 -5,-0.3 -1,-0.2 0.802 111.2 46.1 -75.8 -27.6 -1.4 8.4 7.9 52 68 A N T 3< S+ 0 0 99 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.555 90.1 109.9 -84.9 -5.1 -3.6 9.6 10.8 53 69 A A < - 0 0 22 -3,-0.8 3,-0.1 -4,-0.4 -45,-0.1 -0.298 54.0-160.3 -72.7 147.5 -6.3 10.9 8.6 54 70 A K S S+ 0 0 185 1,-0.3 2,-0.3 -2,-0.0 -1,-0.1 0.597 85.9 32.7 -89.4 -9.8 -9.7 9.1 8.4 55 71 A K - 0 0 105 2,-0.0 24,-3.0 -48,-0.0 2,-0.4 -0.974 64.6-170.2-147.7 125.1 -10.4 10.8 5.0 56 72 A I E -AE 6 78A 13 -50,-0.8 -50,-2.0 -2,-0.3 2,-0.4 -0.960 11.4-176.3-117.4 132.8 -8.0 11.9 2.2 57 73 A E E -AE 5 77A 39 20,-2.0 20,-3.0 -2,-0.4 2,-0.4 -0.964 14.0-150.6-126.1 147.6 -9.3 14.1 -0.6 58 74 A V E -AE 4 76A 0 -54,-2.8 -54,-2.6 -2,-0.4 2,-0.5 -0.945 8.2-168.1-115.2 142.0 -7.5 15.4 -3.8 59 75 A E E - E 0 75A 13 16,-2.5 16,-2.8 -2,-0.4 -56,-0.2 -0.948 9.3-152.7-132.1 105.4 -8.5 18.6 -5.4 60 76 A F E - E 0 74A 22 -58,-0.5 -58,-0.3 -2,-0.5 14,-0.2 -0.456 15.0-133.9 -68.3 151.9 -7.2 19.4 -8.9 61 77 A D - 0 0 0 12,-0.6 41,-0.1 3,-0.2 -1,-0.1 -0.195 30.8 -94.2 -91.8-166.0 -6.8 23.0 -9.8 62 78 A K S S+ 0 0 127 39,-0.5 40,-0.2 -2,-0.1 3,-0.1 0.473 100.8 65.2 -99.9 -1.0 -7.9 24.4 -13.2 63 79 A G S S- 0 0 19 1,-0.3 38,-0.2 36,-0.1 37,-0.1 -0.032 106.6 -25.1 -97.9-153.0 -4.7 24.1 -15.0 64 80 A Q - 0 0 92 36,-1.1 -1,-0.3 1,-0.1 -3,-0.2 -0.300 52.5-154.8 -63.0 139.5 -2.7 21.0 -16.1 65 81 A R S S+ 0 0 134 1,-0.1 8,-2.4 -3,-0.1 2,-0.3 0.579 70.5 37.9 -99.3 -12.9 -3.4 18.0 -13.9 66 82 A T B S-F 72 0A 64 6,-0.2 6,-0.2 -38,-0.1 -1,-0.1 -0.990 71.6-133.2-135.4 149.4 -0.2 16.0 -14.3 67 83 A D > - 0 0 19 4,-2.2 3,-2.0 -2,-0.3 -2,-0.1 -0.241 42.4 -88.9 -84.7 180.0 3.4 16.9 -14.6 68 84 A K T 3 S+ 0 0 170 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.772 127.3 56.6 -67.0 -22.3 5.9 15.5 -17.1 69 85 A Y T 3 S- 0 0 159 2,-0.1 -1,-0.3 1,-0.0 0, 0.0 0.307 122.2-105.9 -86.9 8.1 6.8 12.6 -14.8 70 86 A G S < S+ 0 0 45 -3,-2.0 2,-0.3 1,-0.2 -43,-0.2 0.541 70.9 146.1 80.8 6.6 3.1 11.6 -14.7 71 87 A R - 0 0 63 -45,-0.1 -4,-2.2 -43,-0.1 -43,-0.3 -0.609 53.2-114.4 -81.4 141.1 2.4 12.8 -11.1 72 88 A G E -dF 28 66A 0 -45,-2.6 -43,-3.5 -2,-0.3 2,-0.7 -0.431 22.8-143.3 -69.1 142.7 -1.0 14.3 -10.2 73 89 A L E +d 29 0A 7 -8,-2.4 -12,-0.6 -45,-0.2 2,-0.3 -0.926 45.8 129.4-112.4 105.9 -0.8 18.0 -9.4 74 90 A A E -dE 30 60A 0 -45,-1.6 -43,-2.6 -2,-0.7 2,-0.5 -0.943 63.6-104.2-151.6 166.1 -3.3 18.7 -6.6 75 91 A Y E - E 0 59A 0 -16,-2.8 -16,-2.5 -2,-0.3 2,-0.4 -0.852 42.2-150.9 -89.4 129.5 -4.2 20.2 -3.2 76 92 A I E - E 0 58A 1 -2,-0.5 7,-3.0 -18,-0.2 8,-0.6 -0.922 8.6-160.3-111.0 135.9 -4.4 17.2 -0.8 77 93 A Y E -GE 82 57A 17 -20,-3.0 -20,-2.0 -2,-0.4 2,-0.5 -0.904 7.4-162.3-120.7 137.0 -6.7 17.3 2.2 78 94 A A E > S-GE 81 56A 6 3,-3.1 3,-2.0 -2,-0.4 -22,-0.2 -0.988 82.3 -20.9-121.4 116.7 -6.5 15.2 5.3 79 95 A D T 3 S- 0 0 69 -24,-3.0 -1,-0.1 -2,-0.5 -23,-0.1 0.905 130.3 -50.2 47.6 46.9 -9.7 15.2 7.4 80 96 A G T 3 S+ 0 0 32 -25,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.409 116.7 113.1 81.1 -5.5 -10.7 18.4 5.7 81 97 A K E < S-G 78 0A 142 -3,-2.0 -3,-3.1 4,-0.0 2,-0.4 -0.887 70.6-120.2-104.6 133.7 -7.5 20.2 6.3 82 98 A M E > -G 77 0A 13 -2,-0.5 4,-2.2 -5,-0.2 -5,-0.3 -0.461 15.1-159.1 -72.5 123.1 -5.2 21.1 3.4 83 99 A V H > S+ 0 0 1 -7,-3.0 4,-2.4 -2,-0.4 5,-0.2 0.917 91.8 57.3 -65.5 -39.8 -1.8 19.4 3.7 84 100 A N H > S+ 0 0 0 -8,-0.6 4,-1.6 1,-0.2 -1,-0.2 0.930 111.5 41.9 -60.1 -46.1 -0.2 22.0 1.3 85 101 A E H > S+ 0 0 54 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.902 110.4 56.0 -65.5 -42.7 -1.3 24.9 3.6 86 102 A A H X S+ 0 0 26 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.902 108.2 49.7 -60.8 -38.8 -0.4 23.1 6.9 87 103 A L H <>S+ 0 0 0 -4,-2.4 5,-2.7 1,-0.2 6,-0.6 0.924 113.7 43.8 -66.6 -45.1 3.2 22.6 5.7 88 104 A V H ><5S+ 0 0 0 -4,-1.6 3,-1.8 -5,-0.2 -1,-0.2 0.900 111.9 52.1 -64.6 -43.4 3.6 26.2 4.7 89 105 A R H 3<5S+ 0 0 88 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.841 108.6 53.2 -65.9 -28.8 1.9 27.6 7.9 90 106 A Q T 3<5S- 0 0 88 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.461 116.7-118.2 -82.8 -0.8 4.4 25.4 9.9 91 107 A G T < 5S+ 0 0 0 -3,-1.8 32,-2.6 2,-0.2 33,-0.2 0.771 81.6 122.3 70.1 25.4 7.3 26.9 8.0 92 108 A L S -I 102 0C 70 3,-0.6 3,-1.4 1,-0.2 -36,-0.1 -0.895 61.9 -38.1-103.2 109.9 2.7 26.2 -12.5 100 116 A K T 3 S- 0 0 98 -2,-0.7 -36,-1.1 1,-0.3 -1,-0.2 0.859 119.9 -36.9 51.8 57.2 0.5 26.4 -15.6 101 117 A G T 3 S+ 0 0 34 -38,-0.2 2,-1.2 1,-0.1 -39,-0.5 0.420 104.0 122.5 78.1 -3.9 -2.8 28.0 -14.3 102 118 A N B < +I 99 0C 0 -3,-1.4 -3,-0.6 1,-0.2 -1,-0.1 -0.618 33.7 105.9 -90.8 80.6 -2.7 26.1 -11.0 103 119 A N > + 0 0 71 -2,-1.2 3,-2.2 -5,-0.1 4,-0.5 0.163 27.3 121.9-138.6 10.4 -2.8 29.0 -8.6 104 120 A T T 3 S+ 0 0 59 1,-0.3 3,-0.3 -3,-0.2 4,-0.2 0.895 88.9 33.4 -56.6 -38.1 -6.4 29.0 -7.2 105 121 A H T 3> S+ 0 0 37 1,-0.2 4,-2.6 2,-0.1 -1,-0.3 0.277 88.8 106.2 -97.1 14.0 -5.0 28.7 -3.6 106 122 A G H <> S+ 0 0 4 -3,-2.2 4,-2.6 1,-0.2 5,-0.2 0.914 79.0 47.3 -62.1 -44.8 -1.9 30.7 -4.1 107 123 A Q H > S+ 0 0 134 -4,-0.5 4,-1.9 -3,-0.3 -1,-0.2 0.921 113.2 50.0 -60.3 -45.8 -3.0 33.9 -2.2 108 124 A H H > S+ 0 0 99 -4,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.910 112.8 45.5 -59.1 -48.9 -4.3 31.7 0.7 109 125 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.842 109.5 54.9 -63.6 -38.4 -1.0 29.8 0.9 110 126 A R H X S+ 0 0 90 -4,-2.6 4,-2.0 -5,-0.2 -1,-0.2 0.876 105.4 53.7 -64.5 -35.1 1.1 33.0 0.6 111 127 A K H X S+ 0 0 149 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.888 109.9 48.0 -58.9 -46.2 -0.9 34.4 3.6 112 128 A A H X S+ 0 0 5 -4,-1.5 4,-2.5 1,-0.2 -2,-0.2 0.917 112.3 49.5 -61.3 -39.8 0.1 31.2 5.6 113 129 A E H X S+ 0 0 15 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.858 107.8 52.5 -65.5 -40.3 3.7 31.6 4.5 114 130 A A H X S+ 0 0 52 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.913 110.5 48.7 -64.6 -42.7 3.8 35.2 5.6 115 131 A Q H X S+ 0 0 69 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.939 110.2 50.1 -59.9 -49.4 2.5 34.2 9.0 116 132 A A H <>S+ 0 0 0 -4,-2.5 5,-2.3 1,-0.2 -2,-0.2 0.902 112.4 50.1 -51.2 -44.9 5.2 31.4 9.3 117 133 A K H ><5S+ 0 0 80 -4,-2.3 3,-1.4 2,-0.2 -2,-0.2 0.921 108.0 50.1 -61.7 -51.5 7.8 34.0 8.4 118 134 A K H 3<5S+ 0 0 149 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.870 113.5 47.5 -57.7 -34.7 6.6 36.6 11.0 119 135 A E T 3<5S- 0 0 79 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.459 107.7-131.3 -84.6 -4.5 6.7 33.7 13.6 120 136 A K T < 5 - 0 0 126 -3,-1.4 2,-0.4 1,-0.2 -3,-0.2 0.871 41.0-179.9 54.8 44.2 10.2 32.8 12.4 121 137 A L > < - 0 0 45 -5,-2.3 3,-3.2 3,-0.1 -1,-0.2 -0.646 44.8 -55.7 -84.2 131.4 9.3 29.1 12.2 122 138 A N G > S+ 0 0 45 -2,-0.4 3,-1.9 1,-0.3 -30,-0.2 -0.125 136.1 26.1 53.0-103.5 11.6 26.3 11.1 123 139 A I G 3 S+ 0 0 35 -32,-2.6 -1,-0.3 1,-0.3 -31,-0.1 0.750 120.5 60.2 -65.0 -20.2 12.8 27.3 7.6 124 140 A W G < 0 0 48 -3,-3.2 -1,-0.3 -33,-0.2 -2,-0.2 0.279 360.0 360.0 -93.7 10.5 12.2 31.0 8.5 125 141 A S < 0 0 113 -3,-1.9 -1,-0.2 -34,-0.2 -2,-0.1 0.984 360.0 360.0 -54.9 360.0 14.7 30.7 11.4