==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 10-FEB-11 3QOL . COMPND 2 MOLECULE: THERMONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR A.ROBINSON,J.L.SCHLESSMAN,E.B.GARCIA-MORENO . 129 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7203.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 86 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 3.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 23.3 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 . 3 2.3 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 . 7 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 21.7 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 1 1 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 . 1 2 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 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 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 75 0, 0.0 2,-0.4 0, 0.0 64,-0.1 0.000 360.0 360.0 360.0 157.7 2.5 -0.9 -8.3 2 8 A H - 0 0 112 62,-0.3 62,-0.5 63,-0.1 2,-0.2 -0.979 360.0-119.9-138.6 150.4 3.0 -4.4 -6.7 3 9 A K - 0 0 88 -2,-0.4 60,-0.2 60,-0.2 77,-0.1 -0.565 28.1-170.6 -86.1 143.4 4.1 -5.8 -3.4 4 10 A E E -A 62 0A 23 58,-2.1 58,-2.8 -2,-0.2 2,-0.0 -0.948 26.3 -98.3-130.8 154.9 7.2 -8.2 -3.4 5 11 A P E +A 61 0A 103 0, 0.0 17,-0.5 0, 0.0 2,-0.3 -0.312 44.0 155.5 -73.7 160.5 8.6 -10.3 -0.6 6 12 A A E -A 60 0A 12 54,-1.5 54,-0.6 15,-0.1 2,-0.3 -0.930 28.5-135.8-164.1 163.8 11.5 -9.4 1.7 7 13 A T E -D 20 0B 84 13,-1.2 13,-3.0 -2,-0.3 2,-0.2 -0.965 30.5-101.7-127.0 149.2 12.6 -10.4 5.2 8 14 A L E +D 19 0B 49 -2,-0.3 11,-0.2 11,-0.2 3,-0.1 -0.478 35.3 172.4 -64.8 133.4 13.9 -8.2 8.0 9 15 A I E - 0 0 78 9,-3.0 2,-0.3 1,-0.3 10,-0.2 0.771 67.8 -28.7 -96.8 -53.7 17.6 -8.2 8.5 10 16 A K E -D 18 0B 145 8,-2.0 8,-2.8 0, 0.0 -1,-0.3 -0.952 56.1-117.1-163.2 136.5 17.9 -5.4 11.0 11 17 A A E +D 17 0B 17 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.437 30.6 175.9 -72.1 148.6 16.0 -2.2 12.0 12 18 A I - 0 0 83 4,-1.2 2,-0.2 1,-0.5 5,-0.2 0.574 52.4 -47.3-115.8 -70.6 18.2 0.9 11.5 13 19 A D S S- 0 0 18 3,-2.1 -1,-0.5 33,-0.1 3,-0.3 -0.730 75.1 -57.3-149.3-158.1 16.1 4.0 12.4 14 20 A G S S+ 0 0 0 22,-0.4 77,-0.1 1,-0.2 23,-0.1 0.893 131.0 17.1 -58.3 -42.8 12.7 5.6 11.7 15 21 A D S S+ 0 0 5 21,-0.1 15,-2.6 20,-0.1 2,-0.3 0.302 117.9 65.3-118.7 9.3 12.9 5.7 7.9 16 22 A T E + E 0 29B 12 -3,-0.3 -3,-2.1 13,-0.2 -4,-1.2 -0.992 52.7 164.6-128.2 146.4 15.8 3.2 7.0 17 23 A E E -DE 11 28B 0 11,-1.8 11,-3.5 -2,-0.3 2,-0.7 -0.990 35.7-119.8-155.4 152.1 15.9 -0.6 7.5 18 24 A K E +DE 10 27B 68 -8,-2.8 -9,-3.0 -2,-0.3 -8,-2.0 -0.842 41.1 168.9 -99.1 119.1 18.0 -3.5 6.4 19 25 A L E -DE 8 26B 0 7,-2.6 7,-2.8 -2,-0.7 2,-0.6 -0.882 37.4-120.1-126.1 158.2 16.0 -6.1 4.5 20 26 A M E +DE 7 25B 80 -13,-3.0 -13,-1.2 -2,-0.3 2,-0.4 -0.891 36.9 179.4 -98.7 117.1 16.8 -9.1 2.4 21 27 A Y E > - E 0 24B 19 3,-2.7 3,-2.5 -2,-0.6 -15,-0.1 -0.978 68.0 -9.3-125.7 132.9 15.3 -8.5 -1.1 22 28 A K T 3 S- 0 0 157 -17,-0.5 -1,-0.2 -2,-0.4 -16,-0.1 0.857 131.2 -58.5 43.9 36.5 15.6 -11.0 -4.0 23 29 A G T 3 S+ 0 0 48 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.1 0.494 117.8 105.9 79.8 4.9 18.1 -12.8 -1.6 24 30 A Q E < S-E 21 0B 124 -3,-2.5 -3,-2.7 -5,-0.0 2,-0.2 -0.935 73.0-115.7-116.9 135.5 20.5 -9.9 -1.2 25 31 A P E +E 20 0B 75 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.516 42.8 170.8 -67.1 138.1 20.8 -7.6 1.9 26 32 A M E -E 19 0B 38 -7,-2.8 -7,-2.6 -2,-0.2 2,-0.5 -0.997 35.5-126.9-144.2 146.7 19.9 -4.0 1.1 27 33 A T E -E 18 0B 32 -2,-0.3 49,-2.2 47,-0.3 2,-0.4 -0.860 31.3-154.6 -88.7 127.8 19.3 -0.9 3.2 28 34 A F E -Ef 17 76B 1 -11,-3.5 -11,-1.8 -2,-0.5 2,-0.5 -0.884 8.9-158.0-105.0 135.0 15.9 0.5 2.3 29 35 A R E -Ef 16 77B 21 47,-3.3 49,-1.2 -2,-0.4 -13,-0.2 -0.964 30.3-117.3-107.4 127.2 15.0 4.2 2.7 30 36 A L E > - f 0 78B 1 -15,-2.6 3,-0.8 -2,-0.5 49,-0.2 -0.423 31.4-118.7 -66.7 127.9 11.2 4.7 3.0 31 37 A L T 3 S+ 0 0 12 47,-2.6 49,-0.1 1,-0.2 71,-0.1 -0.405 84.8 8.0 -61.9 146.6 9.7 6.8 0.1 32 38 A L T 3 S+ 0 0 3 69,-0.5 68,-1.8 1,-0.1 2,-0.3 0.459 107.9 91.8 73.5 7.5 8.0 10.1 0.6 33 39 A V E < -H 99 0C 0 -3,-0.8 2,-0.3 66,-0.3 66,-0.2 -0.904 51.9-158.1-131.1 164.3 8.8 10.5 4.4 34 40 A D E -H 98 0C 55 64,-1.7 64,-2.1 -2,-0.3 3,-0.0 -0.913 9.5-170.7-141.9 114.0 11.3 12.0 6.7 35 41 A T - 0 0 1 -2,-0.3 62,-0.2 62,-0.2 -20,-0.1 -0.696 36.8 -99.5 -90.5 151.2 11.8 10.8 10.3 36 42 A P - 0 0 14 0, 0.0 -22,-0.4 0, 0.0 -21,-0.1 -0.388 45.7 -99.3 -62.0 152.0 14.0 12.7 12.7 37 43 A E > - 0 0 89 1,-0.1 3,-2.3 -24,-0.1 6,-0.3 -0.285 39.0-101.9 -66.2 159.0 17.5 11.3 13.1 38 50 A F T 3 S+ 0 0 133 1,-0.3 5,-0.1 5,-0.2 -1,-0.1 0.825 123.1 52.9 -55.7 -31.2 18.0 9.3 16.3 39 51 A N T 3 S+ 0 0 137 4,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.485 99.6 82.5 -85.5 -2.2 19.8 12.1 18.0 40 52 A E S X S- 0 0 95 -3,-2.3 3,-2.2 1,-0.1 2,-0.0 -0.559 98.2 -74.2-100.6 164.1 16.9 14.6 17.3 41 53 A K T 3 S+ 0 0 161 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 -0.332 121.6 8.8 -60.8 131.0 13.6 15.1 19.1 42 54 A Y T 3> S+ 0 0 45 -4,-0.1 4,-2.3 -3,-0.1 -1,-0.3 0.333 98.9 110.9 76.2 -3.2 11.2 12.2 18.3 43 55 A G H <> S+ 0 0 0 -3,-2.2 4,-2.6 -6,-0.3 -5,-0.2 0.929 76.4 48.0 -67.5 -45.6 14.0 10.3 16.6 44 56 A P H > S+ 0 0 51 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.921 114.3 47.8 -60.8 -39.5 14.2 7.7 19.3 45 57 A E H > S+ 0 0 91 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.859 110.9 50.4 -66.3 -40.9 10.4 7.3 19.1 46 58 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 5,-0.2 0.934 110.6 50.2 -62.3 -45.1 10.4 7.1 15.3 47 59 A S H X S+ 0 0 17 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.922 112.8 45.7 -61.7 -43.2 13.1 4.4 15.5 48 60 A A H X S+ 0 0 61 -4,-2.2 4,-2.7 2,-0.2 5,-0.3 0.871 110.1 54.7 -67.3 -38.1 11.2 2.3 18.1 49 61 A F H X S+ 0 0 60 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.974 113.5 39.5 -63.4 -53.3 7.9 2.6 16.1 50 62 A T H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 5,-0.3 0.884 115.3 53.6 -60.2 -42.2 9.4 1.3 12.8 51 63 A K H X S+ 0 0 98 -4,-2.1 4,-2.3 -5,-0.2 5,-0.2 0.933 112.3 43.7 -65.1 -44.0 11.5 -1.4 14.7 52 64 A K H X S+ 0 0 140 -4,-2.7 4,-2.2 2,-0.2 5,-0.2 0.927 114.1 51.0 -63.9 -47.6 8.4 -2.7 16.5 53 65 A M H X S+ 0 0 30 -4,-2.5 4,-0.7 -5,-0.3 -2,-0.2 0.923 117.6 36.4 -59.3 -45.6 6.2 -2.6 13.4 54 66 A V H < S+ 0 0 2 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.840 118.1 49.8 -82.3 -29.0 8.7 -4.5 11.2 55 67 A E H < S+ 0 0 93 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.794 111.0 49.4 -78.5 -31.7 10.0 -7.0 13.8 56 68 A N H < S+ 0 0 111 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.703 91.3 105.7 -78.8 -18.4 6.5 -7.9 14.9 57 69 A A < - 0 0 18 -4,-0.7 3,-0.2 -5,-0.2 -3,-0.0 -0.321 56.8-158.0 -70.5 145.0 5.3 -8.6 11.4 58 70 A K S S+ 0 0 190 1,-0.3 2,-0.4 -2,-0.1 -1,-0.1 0.751 86.2 33.4 -85.5 -26.5 4.8 -12.0 10.1 59 71 A K - 0 0 108 -52,-0.0 24,-3.0 2,-0.0 2,-0.4 -0.963 65.1-167.5-142.5 115.7 5.2 -10.7 6.6 60 72 A I E -AB 6 82A 13 -54,-0.6 -54,-1.5 -2,-0.4 2,-0.3 -0.876 13.4-177.4 -98.4 137.1 7.3 -7.9 5.2 61 73 A E E -AB 5 81A 26 20,-2.1 20,-2.4 -2,-0.4 2,-0.4 -0.967 14.7-148.8-132.1 147.6 6.7 -6.6 1.6 62 74 A V E -AB 4 80A 0 -58,-2.8 -58,-2.1 -2,-0.3 2,-0.5 -0.933 8.0-167.0-114.9 142.5 8.5 -4.0 -0.5 63 75 A E E - B 0 79A 7 16,-2.6 16,-2.9 -2,-0.4 2,-0.2 -0.945 7.5-155.8-129.9 111.3 6.7 -2.0 -3.1 64 76 A F - 0 0 11 -62,-0.5 -62,-0.3 -2,-0.5 14,-0.2 -0.500 14.7-134.0 -76.9 152.3 8.8 0.0 -5.6 65 77 A D - 0 0 7 12,-0.5 41,-0.1 3,-0.3 -1,-0.1 -0.132 36.7 -85.5 -89.3-162.6 7.2 3.1 -7.2 66 78 A K S S+ 0 0 172 39,-0.2 40,-0.2 -2,-0.1 3,-0.1 0.656 104.5 45.8 -85.7 -16.1 7.4 3.9 -11.0 67 79 A G S S- 0 0 32 38,-0.4 39,-0.1 1,-0.3 38,-0.1 0.236 105.2 -4.0-107.6-140.9 10.8 5.7 -11.0 68 80 A Q - 0 0 118 1,-0.1 -1,-0.3 -4,-0.1 -3,-0.3 -0.272 47.9-163.3 -66.0 140.3 14.2 5.2 -9.5 69 81 A R S S+ 0 0 112 1,-0.2 8,-2.7 -3,-0.1 2,-0.3 0.546 73.6 38.5 -99.0 -15.6 14.6 2.1 -7.3 70 82 A T B S-G 76 0B 70 6,-0.3 6,-0.2 -42,-0.1 -1,-0.2 -0.989 76.3-135.2-135.3 145.1 17.8 3.0 -5.6 71 83 A D > - 0 0 21 4,-3.0 3,-1.9 -2,-0.3 -2,-0.1 -0.232 41.2 -85.7 -91.9-172.9 19.1 6.4 -4.4 72 84 A K T 3 S+ 0 0 178 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.644 128.3 55.4 -69.7 -13.8 22.6 8.0 -4.8 73 85 A Y T 3 S- 0 0 165 2,-0.2 -1,-0.3 3,-0.0 3,-0.1 0.293 120.6-105.9 -97.3 4.7 23.7 6.2 -1.6 74 86 A G S < S+ 0 0 54 -3,-1.9 2,-0.3 1,-0.3 -47,-0.3 0.557 74.3 141.6 81.7 3.9 22.7 2.7 -3.0 75 87 A R - 0 0 68 -49,-0.1 -4,-3.0 -47,-0.1 -1,-0.3 -0.684 55.4-118.4 -78.6 138.8 19.6 2.5 -0.6 76 88 A G E -fG 28 70B 0 -49,-2.2 -47,-3.3 -2,-0.3 2,-0.6 -0.432 22.5-140.5 -72.4 145.2 16.5 0.9 -2.2 77 89 A L E +f 29 0B 19 -8,-2.7 -12,-0.5 -49,-0.2 2,-0.3 -0.958 43.4 131.8-114.2 114.0 13.6 3.3 -2.4 78 90 A A E -f 30 0B 0 -49,-1.2 -47,-2.6 -2,-0.6 2,-0.6 -0.949 60.4-105.2-150.8 164.4 10.3 1.6 -1.5 79 91 A Y E -B 63 0A 0 -16,-2.9 -16,-2.6 -2,-0.3 2,-0.5 -0.905 42.3-151.5 -88.7 126.9 7.0 1.5 0.3 80 92 A I E -B 62 0A 0 -2,-0.6 7,-3.1 -18,-0.2 8,-0.6 -0.900 8.9-161.8-107.3 136.1 7.4 -1.1 3.0 81 93 A Y E -BC 61 86A 17 -20,-2.4 -20,-2.1 -2,-0.5 2,-0.6 -0.927 8.9-160.6-119.1 139.5 4.4 -3.1 4.4 82 94 A A E > S-BC 60 85A 6 3,-3.0 3,-2.0 -2,-0.4 -22,-0.2 -0.975 85.0 -23.1-120.4 108.0 4.2 -5.0 7.6 83 95 A D T 3 S- 0 0 75 -24,-3.0 -1,-0.2 -2,-0.6 -23,-0.1 0.914 130.6 -48.8 53.0 43.7 1.4 -7.6 7.5 84 96 A G T 3 S+ 0 0 47 -25,-0.4 2,-0.4 1,-0.2 -1,-0.3 0.355 115.3 115.4 85.3 -8.2 -0.2 -5.5 4.8 85 97 A K E < -C 82 0A 125 -3,-2.0 -3,-3.0 3,-0.0 2,-0.5 -0.860 68.7-121.7 -96.3 132.2 0.1 -2.1 6.7 86 98 A M E > -C 81 0A 8 -2,-0.4 4,-2.1 -5,-0.2 -5,-0.3 -0.569 13.7-159.1 -78.9 121.3 2.3 0.5 5.1 87 99 A V H > S+ 0 0 0 -7,-3.1 4,-2.6 -2,-0.5 5,-0.3 0.891 92.5 58.4 -61.5 -40.7 5.1 1.6 7.5 88 100 A N H > S+ 0 0 0 -8,-0.6 4,-1.4 1,-0.2 -1,-0.2 0.914 112.3 39.6 -57.0 -45.1 5.5 4.9 5.5 89 101 A E H > S+ 0 0 66 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.857 112.0 56.2 -71.7 -42.3 1.9 5.8 6.1 90 102 A A H X S+ 0 0 8 -4,-2.1 4,-1.7 1,-0.2 6,-0.2 0.929 107.0 49.0 -60.5 -46.0 1.8 4.6 9.7 91 103 A L H <>S+ 0 0 0 -4,-2.6 5,-2.9 2,-0.2 6,-0.9 0.915 114.6 45.8 -55.1 -45.1 4.8 6.8 10.7 92 104 A V H ><5S+ 0 0 0 -4,-1.4 3,-2.0 -5,-0.3 -2,-0.2 0.942 109.7 54.0 -68.6 -40.0 3.1 9.8 9.1 93 105 A R H 3<5S+ 0 0 76 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.807 109.6 49.1 -64.4 -31.7 -0.3 9.0 10.7 94 106 A Q T 3<5S- 0 0 75 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.378 115.0-114.8 -86.3 0.9 1.4 9.0 14.1 95 107 A G T < 5S+ 0 0 0 -3,-2.0 32,-2.4 -4,-0.2 -3,-0.2 0.809 86.8 117.7 68.0 28.8 3.2 12.3 13.6 96 108 A L S - 0 0 155 -2,-1.0 3,-1.9 3,-0.5 -3,-0.0 -0.872 34.7-104.4-105.0 136.8 10.1 13.6 -6.3 104 116 A K T 3 S+ 0 0 200 -2,-0.4 -1,-0.1 1,-0.2 4,-0.0 -0.210 105.7 30.7 -61.5 147.7 7.9 13.4 -9.4 105 117 A G T 3 S+ 0 0 42 -38,-0.1 -38,-0.4 1,-0.0 -1,-0.2 0.344 116.4 59.2 83.5 -12.3 7.7 9.9 -10.9 106 118 A N S < S+ 0 0 12 -3,-1.9 -3,-0.5 -40,-0.2 -74,-0.1 -0.484 80.2 94.2-128.9 61.6 8.2 8.2 -7.5 107 119 A N > + 0 0 54 -5,-0.1 3,-1.8 -76,-0.1 4,-0.3 0.092 32.3 130.2-139.2 28.7 5.1 9.7 -5.8 108 120 A T T 3 S+ 0 0 74 1,-0.3 3,-0.4 2,-0.1 4,-0.2 0.884 82.1 40.2 -52.3 -45.4 2.2 7.3 -6.2 109 121 A H T 3> S+ 0 0 35 1,-0.2 4,-2.2 2,-0.1 -1,-0.3 0.223 82.5 113.0 -94.3 15.9 1.2 7.3 -2.5 110 122 A E H <> S+ 0 0 38 -3,-1.8 4,-2.6 1,-0.2 5,-0.2 0.954 78.4 43.9 -48.7 -56.1 1.8 11.1 -2.0 111 123 A Q H > S+ 0 0 126 -3,-0.4 4,-2.0 -4,-0.3 -1,-0.2 0.881 111.5 53.5 -65.1 -38.3 -1.9 12.0 -1.5 112 124 A L H > S+ 0 0 75 -4,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.901 112.4 45.4 -54.8 -48.6 -2.5 9.0 0.9 113 125 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.888 110.4 53.2 -71.0 -33.3 0.4 10.1 3.1 114 126 A R H X S+ 0 0 94 -4,-2.6 4,-2.7 -5,-0.2 -2,-0.2 0.888 106.2 53.6 -65.7 -33.7 -0.6 13.8 3.0 115 127 A K H X S+ 0 0 149 -4,-2.0 4,-1.9 -5,-0.2 -2,-0.2 0.950 110.2 48.1 -64.6 -42.5 -4.1 12.8 4.2 116 128 A A H X S+ 0 0 6 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.863 110.2 51.0 -64.7 -43.5 -2.4 11.0 7.1 117 129 A E H X S+ 0 0 20 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.940 106.9 54.5 -58.0 -44.8 -0.2 14.0 7.9 118 130 A A H X S+ 0 0 35 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.919 110.3 46.7 -58.4 -39.5 -3.2 16.2 8.0 119 131 A Q H X S+ 0 0 72 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.923 111.7 49.1 -71.5 -42.4 -4.9 13.9 10.5 120 132 A A H <>S+ 0 0 0 -4,-2.4 5,-2.5 1,-0.2 -1,-0.2 0.879 112.8 50.4 -56.8 -40.0 -1.7 13.7 12.7 121 133 A K H ><5S+ 0 0 92 -4,-2.9 3,-0.9 3,-0.2 -2,-0.2 0.894 108.5 50.7 -68.3 -41.0 -1.5 17.5 12.6 122 134 A K H 3<5S+ 0 0 145 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.947 113.3 45.4 -54.3 -55.1 -5.2 17.9 13.6 123 135 A E T 3<5S- 0 0 88 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.408 108.5-130.1 -73.0 -0.1 -4.6 15.6 16.5 124 136 A K T < 5 - 0 0 133 -3,-0.9 2,-0.3 1,-0.2 -3,-0.2 0.866 41.8-176.9 52.1 45.5 -1.4 17.5 17.3 125 137 A L > < - 0 0 42 -5,-2.5 3,-3.3 3,-0.2 -1,-0.2 -0.593 42.2 -56.5 -86.5 135.2 0.6 14.2 17.5 126 138 A N G > S+ 0 0 52 -2,-0.3 3,-2.0 1,-0.3 -30,-0.2 -0.153 135.8 27.7 48.9-104.7 4.2 14.0 18.4 127 139 A I G 3 S+ 0 0 43 -32,-2.4 -1,-0.3 1,-0.3 -31,-0.1 0.804 126.3 50.7 -56.3 -28.5 6.1 16.1 16.0 128 140 A W G < 0 0 52 -3,-3.3 -1,-0.3 -33,-0.1 -2,-0.2 0.377 360.0 360.0 -91.1 9.6 3.0 18.3 15.6 129 141 A S < 0 0 93 -3,-2.0 -4,-0.1 -34,-0.2 -5,-0.1 -0.352 360.0 360.0 -84.3 360.0 2.6 18.7 19.4