==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-SEP-07 2RDF . COMPND 2 MOLECULE: THERMONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR K.BARAN,J.L.SCHLESSMAN,B.E.GARCIA-MORENO . 125 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6998.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 87 69.6 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 28.0 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 . 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 . 8 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 21.6 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 0 1 3 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 . 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 0 107 0, 0.0 2,-0.5 0, 0.0 61,-0.1 0.000 360.0 360.0 360.0 146.4 -23.1 -12.8 -22.3 2 8 A H - 0 0 138 59,-0.3 2,-0.6 60,-0.1 59,-0.5 -0.662 360.0-146.8 -83.4 120.7 -19.5 -14.2 -22.2 3 9 A K E -A 60 0A 82 -2,-0.5 57,-0.2 57,-0.2 74,-0.1 -0.765 18.6-166.3 -86.9 123.0 -17.4 -12.9 -19.3 4 10 A E E -A 59 0A 33 55,-3.2 55,-3.0 -2,-0.6 2,-0.1 -0.871 21.7-109.0-112.3 144.6 -13.7 -12.6 -20.4 5 11 A P E +A 58 0A 106 0, 0.0 17,-0.4 0, 0.0 2,-0.3 -0.347 41.1 167.8 -70.5 149.7 -10.7 -12.1 -18.1 6 12 A A E -A 57 0A 12 51,-2.0 51,-0.7 15,-0.1 2,-0.4 -0.973 27.6-131.0-154.4 162.9 -8.9 -8.8 -18.0 7 13 A T E -B 20 0A 94 13,-1.8 13,-2.9 -2,-0.3 2,-0.1 -0.979 27.5-116.5-124.7 131.1 -6.2 -7.1 -15.9 8 14 A L E +B 19 0A 43 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.407 35.3 168.4 -63.9 138.7 -6.6 -3.6 -14.6 9 15 A I E - 0 0 74 9,-2.3 2,-0.3 1,-0.2 10,-0.2 0.660 65.8 -15.7-116.5 -45.3 -3.9 -1.3 -16.0 10 16 A K E -B 18 0A 131 8,-2.0 8,-3.1 41,-0.0 2,-0.2 -0.864 54.7-129.3-168.4 131.1 -5.2 2.1 -14.9 11 17 A A E +B 17 0A 16 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.550 25.8 174.6 -77.1 142.7 -8.4 3.7 -13.6 12 18 A I E - 0 0 77 4,-1.5 2,-0.3 1,-0.5 5,-0.2 0.727 52.1 -45.1-114.9 -61.0 -9.4 6.8 -15.6 13 19 A D E > S-B 16 0A 58 3,-2.3 3,-1.1 30,-0.1 -1,-0.5 -0.871 76.0 -53.7-157.3-169.8 -12.8 8.0 -14.3 14 20 A G T 3 S+ 0 0 2 26,-0.3 74,-0.1 -2,-0.3 79,-0.0 0.852 132.2 14.1 -43.7 -50.3 -16.3 7.0 -13.3 15 21 A N T 3 S+ 0 0 9 20,-0.0 15,-2.3 14,-0.0 2,-0.4 0.105 117.1 73.8-119.7 25.6 -17.2 5.1 -16.6 16 22 A T E < +BC 13 29A 6 -3,-1.1 -3,-2.3 13,-0.2 -4,-1.5 -0.997 47.9 161.4-141.4 134.1 -13.8 4.7 -18.2 17 23 A V E -BC 11 28A 1 11,-2.2 11,-3.6 -2,-0.4 2,-0.5 -0.986 32.7-126.5-147.8 154.8 -10.8 2.4 -17.4 18 24 A K E +BC 10 27A 80 -8,-3.1 -9,-2.3 -2,-0.3 -8,-2.0 -0.908 35.9 176.3-105.8 127.5 -7.8 1.1 -19.2 19 25 A L E -BC 8 26A 0 7,-2.7 7,-1.6 -2,-0.5 2,-0.8 -0.899 38.4-118.0-131.3 159.9 -7.3 -2.7 -19.2 20 26 A M E +BC 7 25A 79 -13,-2.9 -13,-1.8 -2,-0.3 2,-0.5 -0.872 44.5 176.0 -93.4 110.8 -5.1 -5.4 -20.5 21 27 A Y - 0 0 25 3,-3.3 3,-0.2 -2,-0.8 -15,-0.1 -0.985 61.2 -12.0-125.2 126.1 -7.4 -7.3 -22.7 22 28 A K S S- 0 0 146 -2,-0.5 -1,-0.2 -17,-0.4 -16,-0.1 0.976 133.5 -44.8 48.1 66.9 -6.3 -10.3 -24.8 23 29 A G S S+ 0 0 75 -3,-0.2 -1,-0.2 1,-0.1 -3,-0.1 0.705 124.9 74.3 53.0 30.5 -2.7 -9.5 -24.4 24 30 A Q S S- 0 0 122 -3,-0.2 -3,-3.3 2,-0.0 -5,-0.1 -0.964 80.5 -95.4-168.7 151.1 -2.9 -5.8 -24.9 25 31 A P E +C 20 0A 83 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.342 43.2 164.9 -67.9 146.1 -3.9 -2.4 -23.5 26 32 A M E -C 19 0A 53 -7,-1.6 -7,-2.7 -2,-0.1 2,-0.4 -0.917 35.7-122.9-164.8 133.5 -7.3 -0.9 -24.4 27 33 A V E -C 18 0A 40 -2,-0.3 46,-2.5 -9,-0.2 2,-0.4 -0.669 29.9-157.7 -81.0 133.1 -9.5 1.8 -23.0 28 34 A F E -Cd 17 73A 0 -11,-3.6 -11,-2.2 -2,-0.4 2,-0.6 -0.947 8.9-156.5-116.3 134.3 -13.0 0.6 -22.0 29 35 A R E -Cd 16 74A 54 44,-3.1 46,-1.2 -2,-0.4 2,-0.3 -0.942 29.7-118.6-107.8 119.4 -16.1 2.7 -21.6 30 36 A L E > - d 0 75A 3 -15,-2.3 3,-1.2 -2,-0.6 46,-0.2 -0.412 35.0-116.0 -61.7 120.6 -18.7 1.2 -19.3 31 37 A L T 3 S+ 0 0 7 44,-2.5 46,-0.1 -2,-0.3 -1,-0.1 -0.160 87.2 5.4 -57.0 147.6 -21.9 0.5 -21.3 32 38 A L T 3 S+ 0 0 11 66,-0.2 65,-1.4 1,-0.1 2,-0.5 0.609 98.2 120.8 53.2 21.2 -25.1 2.2 -20.5 33 39 A V E < -H 96 0B 3 -3,-1.2 2,-0.4 63,-0.2 63,-0.2 -0.961 39.5-172.8-119.7 123.2 -23.5 4.5 -17.9 34 40 A D E -H 95 0B 78 61,-2.9 61,-2.1 -2,-0.5 -3,-0.0 -0.928 12.6-152.5-115.7 136.2 -23.6 8.3 -18.1 35 41 A I 0 0 51 -2,-0.4 59,-0.1 59,-0.2 5,-0.1 -0.894 360.0 360.0-108.5 106.5 -21.7 10.7 -15.8 36 42 A P 0 0 119 0, 0.0 -1,-0.2 0, 0.0 58,-0.0 0.986 360.0 360.0 -56.9 360.0 -23.4 14.1 -15.5 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 53 A K 0 0 179 0, 0.0 4,-0.2 0, 0.0 86,-0.0 0.000 360.0 360.0 360.0 39.7 -20.4 17.7 -8.3 39 54 A Y > + 0 0 43 2,-0.1 4,-2.9 1,-0.1 5,-0.3 0.325 360.0 98.7-110.0 5.7 -20.3 13.9 -8.4 40 55 A G H > S+ 0 0 37 1,-0.2 4,-2.3 2,-0.2 -26,-0.3 0.950 90.6 41.9 -56.8 -50.5 -17.7 13.5 -11.2 41 56 A P H > S+ 0 0 92 0, 0.0 4,-3.1 0, 0.0 -1,-0.2 0.885 113.9 52.7 -64.3 -39.2 -14.9 13.0 -8.7 42 57 A E H > S+ 0 0 69 -4,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.911 110.9 46.5 -62.6 -43.7 -17.1 10.8 -6.5 43 58 A A H X S+ 0 0 0 -4,-2.9 4,-2.3 2,-0.2 5,-0.3 0.923 113.5 49.4 -64.5 -44.5 -17.9 8.5 -9.5 44 59 A A H X S+ 0 0 26 -4,-2.3 4,-2.5 -5,-0.3 -2,-0.2 0.939 112.2 47.4 -59.5 -48.5 -14.3 8.4 -10.5 45 60 A A H X S+ 0 0 56 -4,-3.1 4,-2.3 1,-0.2 -1,-0.2 0.887 110.8 52.8 -61.3 -40.1 -13.2 7.5 -7.0 46 61 A F H X S+ 0 0 53 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.950 113.2 41.2 -61.1 -52.6 -15.9 4.8 -6.7 47 62 A T H X S+ 0 0 1 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.907 113.4 54.3 -62.9 -43.9 -14.9 3.0 -9.9 48 63 A K H X S+ 0 0 95 -4,-2.5 4,-2.2 -5,-0.3 5,-0.2 0.930 111.1 45.4 -56.2 -48.7 -11.2 3.4 -9.2 49 64 A K H X S+ 0 0 142 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.889 111.2 52.6 -64.4 -41.0 -11.6 1.8 -5.8 50 65 A M H < S+ 0 0 41 -4,-2.2 4,-0.3 -5,-0.2 -2,-0.2 0.918 115.8 38.9 -63.9 -43.3 -13.8 -1.1 -7.1 51 66 A V H < S+ 0 0 3 -4,-2.5 -43,-0.2 2,-0.2 -2,-0.2 0.793 115.8 49.4 -80.1 -28.7 -11.3 -2.1 -9.8 52 67 A E H < S+ 0 0 88 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.850 112.7 46.2 -79.0 -34.1 -8.0 -1.6 -7.9 53 68 A N S < S+ 0 0 114 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.528 92.3 109.1 -84.4 -5.7 -9.1 -3.6 -4.9 54 69 A A - 0 0 20 -4,-0.3 3,-0.1 -5,-0.1 -46,-0.1 -0.419 56.7-158.5 -72.7 144.7 -10.5 -6.4 -7.1 55 70 A K S S+ 0 0 169 1,-0.3 2,-0.3 -2,-0.1 -1,-0.1 0.419 85.0 30.8 -98.9 -2.6 -8.7 -9.7 -7.2 56 71 A K - 0 0 83 2,-0.0 24,-2.8 -5,-0.0 2,-0.4 -0.928 63.8-169.1-158.7 131.0 -10.4 -10.4 -10.5 57 72 A I E -AE 6 79A 12 -51,-0.7 -51,-2.0 -2,-0.3 2,-0.3 -0.969 10.6-178.4-121.8 136.0 -11.6 -8.2 -13.4 58 73 A E E -AE 5 78A 51 20,-2.1 20,-3.3 -2,-0.4 2,-0.4 -0.972 12.6-153.9-135.0 148.2 -13.8 -9.4 -16.2 59 74 A V E -AE 4 77A 0 -55,-3.0 -55,-3.2 -2,-0.3 2,-0.5 -0.966 6.0-168.5-122.5 139.6 -15.2 -7.7 -19.3 60 75 A A E -AE 3 76A 0 16,-2.3 16,-2.4 -2,-0.4 2,-0.2 -0.974 11.8-148.5-130.3 116.9 -18.4 -8.8 -21.1 61 76 A F E - E 0 75A 24 -59,-0.5 -59,-0.3 -2,-0.5 14,-0.2 -0.528 17.8-131.8 -79.7 151.8 -19.2 -7.4 -24.5 62 77 A D - 0 0 0 12,-0.7 41,-0.1 3,-0.2 -1,-0.1 -0.178 29.7 -93.2 -91.1-169.3 -22.8 -7.0 -25.4 63 78 A K S S+ 0 0 123 39,-0.3 40,-0.2 -2,-0.1 3,-0.1 0.542 101.6 66.8 -85.5 -7.5 -24.6 -8.0 -28.6 64 79 A G S S- 0 0 14 1,-0.3 38,-0.2 36,-0.1 37,-0.1 -0.067 106.6 -33.0 -96.1-159.6 -24.2 -4.7 -30.4 65 80 A Q - 0 0 97 36,-1.3 -1,-0.3 1,-0.1 -3,-0.2 -0.328 52.9-147.7 -59.3 135.8 -21.2 -2.8 -31.7 66 81 A R S S+ 0 0 129 -3,-0.1 8,-2.6 1,-0.1 2,-0.3 0.474 72.7 35.9 -88.6 -4.8 -18.1 -3.5 -29.5 67 82 A T B S-F 73 0A 65 6,-0.3 6,-0.2 -39,-0.1 -1,-0.1 -0.997 71.8-130.9-147.7 145.6 -16.3 -0.1 -29.7 68 83 A D > - 0 0 21 4,-2.0 3,-2.0 -2,-0.3 -2,-0.0 -0.241 45.1 -87.3 -85.7-177.7 -17.3 3.5 -30.0 69 84 A K T 3 S+ 0 0 166 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.816 127.7 59.0 -60.3 -30.9 -16.0 6.0 -32.6 70 85 A Y T 3 S- 0 0 157 2,-0.1 -1,-0.3 1,-0.1 -2,-0.0 0.300 119.3-109.6 -82.3 10.2 -13.1 6.8 -30.2 71 86 A G < + 0 0 45 -3,-2.0 2,-0.3 1,-0.2 -44,-0.2 0.552 69.7 142.9 76.1 8.7 -12.0 3.2 -30.3 72 87 A R - 0 0 56 -46,-0.1 -4,-2.0 1,-0.1 -44,-0.2 -0.628 55.6-112.2 -84.5 140.3 -12.9 2.4 -26.7 73 88 A G E -dF 28 67A 0 -46,-2.5 -44,-3.1 -2,-0.3 2,-0.7 -0.496 24.7-142.4 -69.7 136.7 -14.3 -1.1 -26.0 74 89 A L E +d 29 0A 9 -8,-2.6 -12,-0.7 -2,-0.2 2,-0.3 -0.889 45.4 124.1-104.8 108.8 -18.0 -1.0 -24.9 75 90 A A E -dE 30 61A 0 -46,-1.2 -44,-2.5 -2,-0.7 2,-0.5 -0.926 64.1 -95.0-154.2 176.6 -18.7 -3.5 -22.2 76 91 A Y E - E 0 60A 0 -16,-2.4 -16,-2.3 -2,-0.3 2,-0.5 -0.870 42.9-148.2 -96.4 127.5 -20.0 -4.4 -18.8 77 92 A I E - E 0 59A 1 -2,-0.5 7,-3.2 -18,-0.2 8,-0.6 -0.895 8.8-157.3-104.6 132.3 -17.0 -4.5 -16.4 78 93 A Y E -GE 83 58A 19 -20,-3.3 -20,-2.1 -2,-0.5 2,-0.6 -0.924 8.7-167.2-114.3 132.7 -17.0 -6.9 -13.4 79 94 A A E > S-GE 82 57A 4 3,-3.4 3,-2.1 -2,-0.4 -22,-0.2 -0.967 83.7 -20.2-116.5 114.2 -15.0 -6.6 -10.2 80 95 A D T 3 S- 0 0 59 -24,-2.8 -1,-0.2 -2,-0.6 -23,-0.1 0.915 129.4 -51.5 53.2 45.7 -15.0 -9.8 -8.2 81 96 A G T 3 S+ 0 0 33 -25,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.406 116.9 115.6 75.7 -4.4 -18.1 -10.9 -10.0 82 97 A K E < -G 79 0A 139 -3,-2.1 -3,-3.4 4,-0.0 2,-0.5 -0.864 69.8-121.7-102.4 130.8 -19.9 -7.7 -9.3 83 98 A M E > -G 78 0A 14 -2,-0.5 4,-2.1 -5,-0.3 -5,-0.3 -0.542 14.7-159.3 -72.9 120.1 -20.8 -5.5 -12.3 84 99 A V H > S+ 0 0 0 -7,-3.2 4,-2.4 -2,-0.5 5,-0.2 0.907 89.7 60.9 -64.2 -40.7 -19.3 -2.0 -11.9 85 100 A N H > S+ 0 0 0 -8,-0.6 4,-1.6 1,-0.2 -1,-0.2 0.928 110.6 39.9 -50.8 -50.6 -21.8 -0.5 -14.3 86 101 A E H > S+ 0 0 49 1,-0.2 4,-3.3 2,-0.2 5,-0.3 0.887 110.6 57.5 -68.3 -42.0 -24.7 -1.5 -12.1 87 102 A A H X S+ 0 0 25 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.896 106.7 50.2 -56.6 -43.1 -22.9 -0.6 -8.8 88 103 A L H <>S+ 0 0 0 -4,-2.4 5,-2.7 2,-0.2 6,-0.5 0.949 114.1 43.5 -60.2 -51.3 -22.4 3.0 -10.0 89 104 A V H ><5S+ 0 0 0 -4,-1.6 3,-2.0 -5,-0.2 5,-0.2 0.937 113.3 50.5 -61.7 -49.2 -26.0 3.4 -11.0 90 105 A R H 3<5S+ 0 0 85 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.825 108.9 53.0 -59.4 -31.8 -27.4 1.8 -7.8 91 106 A Q T 3<5S- 0 0 82 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.439 116.1-118.4 -82.4 -1.1 -25.1 4.0 -5.7 92 107 A G T < 5S+ 0 0 0 -3,-2.0 32,-2.0 2,-0.2 33,-0.2 0.763 81.7 120.7 70.1 25.5 -26.6 7.0 -7.5 93 108 A L S -I 103 0C 93 3,-0.5 3,-2.4 1,-0.1 -36,-0.1 -0.967 60.2 -30.0-120.0 126.1 -26.2 2.5 -28.2 101 116 A K T 3 S- 0 0 114 -2,-0.5 -36,-1.3 1,-0.3 -1,-0.1 0.799 122.5 -46.4 37.7 51.2 -26.1 0.4 -31.3 102 117 A G T 3 S+ 0 0 31 -38,-0.2 2,-1.6 1,-0.2 -39,-0.3 0.495 98.3 133.0 79.5 2.9 -28.0 -2.6 -29.9 103 118 A N B < +I 100 0C 0 -3,-2.4 -3,-0.5 1,-0.2 -1,-0.2 -0.616 27.2 119.1 -88.5 81.1 -26.1 -2.9 -26.6 104 119 A N > + 0 0 64 -2,-1.6 3,-1.4 -5,-0.1 4,-0.5 0.245 22.3 116.9-129.0 12.2 -29.2 -3.2 -24.4 105 120 A T T 3 S+ 0 0 63 1,-0.3 4,-0.3 -3,-0.2 3,-0.2 0.868 91.6 29.3 -51.3 -42.1 -28.9 -6.5 -22.6 106 121 A H T 3> S+ 0 0 36 1,-0.2 4,-2.4 2,-0.1 -1,-0.3 0.249 88.9 106.9-105.1 14.9 -28.6 -5.0 -19.1 107 122 A E H <> S+ 0 0 42 -3,-1.4 4,-2.6 1,-0.2 5,-0.2 0.930 82.9 44.2 -56.7 -50.3 -30.7 -1.8 -19.7 108 123 A Q H > S+ 0 0 119 -4,-0.5 4,-1.9 2,-0.2 -1,-0.2 0.923 112.4 51.5 -62.8 -45.6 -33.7 -3.0 -17.7 109 124 A H H > S+ 0 0 88 -4,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.902 113.7 46.3 -59.3 -38.7 -31.6 -4.3 -14.9 110 125 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.873 107.0 55.8 -72.5 -37.4 -29.8 -0.9 -14.8 111 126 A R H X S+ 0 0 87 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.865 107.7 51.2 -63.0 -34.2 -33.0 1.1 -15.0 112 127 A K H X S+ 0 0 145 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.950 110.0 47.6 -66.5 -49.6 -34.3 -0.7 -11.9 113 128 A A H X S+ 0 0 8 -4,-1.7 4,-2.5 1,-0.2 -2,-0.2 0.939 113.2 49.9 -55.6 -46.8 -31.0 -0.0 -9.9 114 129 A E H X S+ 0 0 13 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.889 108.1 52.9 -59.4 -41.9 -31.3 3.6 -11.0 115 130 A A H X S+ 0 0 49 -4,-2.2 4,-2.9 2,-0.2 -1,-0.2 0.932 109.8 48.0 -61.3 -45.5 -35.0 3.8 -9.9 116 131 A Q H X S+ 0 0 69 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.924 111.1 50.4 -61.9 -44.0 -34.1 2.5 -6.5 117 132 A A H <>S+ 0 0 0 -4,-2.5 5,-2.1 1,-0.2 -1,-0.2 0.895 111.9 49.3 -59.6 -39.0 -31.2 5.0 -6.2 118 133 A K H ><5S+ 0 0 109 -4,-2.4 3,-1.6 1,-0.2 -2,-0.2 0.917 108.2 51.8 -66.7 -42.7 -33.7 7.7 -7.2 119 134 A K H 3<5S+ 0 0 168 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.871 111.0 49.7 -61.3 -34.9 -36.2 6.5 -4.6 120 135 A E T 3<5S- 0 0 83 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.436 104.5-132.4 -83.5 -0.1 -33.3 6.7 -2.1 121 136 A K T < 5 + 0 0 154 -3,-1.6 2,-0.3 -4,-0.2 -3,-0.2 0.856 43.2 177.7 48.1 39.6 -32.4 10.3 -3.2 122 137 A L > < - 0 0 42 -5,-2.1 3,-2.7 -6,-0.1 -1,-0.2 -0.593 45.8 -55.7 -80.0 130.7 -28.8 9.0 -3.3 123 138 A N G > S+ 0 0 44 -2,-0.3 3,-2.8 1,-0.3 -30,-0.2 -0.126 136.5 27.8 41.8-107.0 -26.1 11.4 -4.4 124 139 A I G 3 S+ 0 0 38 -32,-2.0 -1,-0.3 1,-0.3 -31,-0.1 0.745 124.4 55.4 -54.5 -21.2 -27.0 12.7 -7.9 125 140 A W G < 0 0 48 -3,-2.7 -1,-0.3 -33,-0.2 -2,-0.2 0.161 360.0 360.0 -97.8 18.2 -30.6 12.2 -6.9 126 141 A S < 0 0 113 -3,-2.8 -1,-0.1 -4,-0.1 -4,-0.1 -0.223 360.0 360.0 -63.5 360.0 -30.3 14.3 -3.7